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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C29H41N8O4+ MolecularWeight: 565.68704

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=NC(=NC(=C3)C(C)C)N4C=CN=C4

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=NC(=NC(=C3)C(C)C)N4C=CN=C4

InChI

InChI=1S/C29H40N8O4/c1-6-9-32-29(39)35-12-13-37(22(17-35)15-26(30)38,18-21-7-8-24(40-4)25(14-21)41-5)27-16-23(20(2)3)33-28(34-27)36-11-10-31-19-36/h7-8,10-11,14,16,19-20,22H,6,9,12-13,15,17-18H2,1-5H3,(H2-,30,32,38,39)/p+1