3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-m-anisyl-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C29H33N8O4+ MolecularWeight: 557.62352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(CC3=CC(=CC=C3)OC)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(CC3=CC(=CC=C3)OC)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C29H32N8O4/c1-40-24-8-6-22(7-9-24)33-29(39)35-14-15-37(23(18-35)17-26(30)38,19-21-4-3-5-25(16-21)41-2)27-10-11-32-28(34-27)36-13-12-31-20-36/h3-13,16,20,23H,14-15,17-19H2,1-2H3,(H2-,30,33,38,39)/p+1