3-(2-azanyl-2-oxidanylidene-ethyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-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-homoveratryl-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C33H41N8O4+ MolecularWeight: 613.72984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)CCC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)CCC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C33H40N8O4/c1-23(2)27-20-31(38-32(37-27)40-14-13-35-22-40)41(16-12-24-10-11-28(44-3)29(18-24)45-4)17-15-39(21-26(41)19-30(34)42)33(43)36-25-8-6-5-7-9-25/h5-11,13-14,18,20,22-23,26H,12,15-17,19,21H2,1-4H3,(H2-,34,36,42,43)/p+1