3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3,4-dimethoxyphenyl)propyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3,4-dimethoxyphenyl)propyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[1-(3,4-dimethoxyphenyl)propyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[1-(3,4-dimethoxyphenyl)propyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[1-(3,4-dimethoxyphenyl)propyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-[1-(3,4-dimethoxyphenyl)propyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C34H43N8O4+ MolecularWeight: 627.75642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)OC)OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCC(C1=CC(=C(C=C1)OC)OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C34H42N8O4/c1-6-28(24-12-13-29(45-4)30(18-24)46-5)42(32-20-27(23(2)3)38-33(39-32)41-15-14-36-22-41)17-16-40(21-26(42)19-31(35)43)34(44)37-25-10-8-7-9-11-25/h7-15,18,20,22-23,26,28H,6,16-17,19,21H2,1-5H3,(H2-,35,37,43,44)/p+1