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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)C(=O)NC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)C(=O)NC5=CC=C(C=C5)OC

InChI

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