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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(4-ethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-(4-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-ethoxybenzyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C30H35N8O4+ MolecularWeight: 571.6501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=C(C=C3)OC)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=C(C=C3)OC)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C30H34N8O4/c1-3-42-26-8-4-22(5-9-26)20-38(28-12-13-33-29(35-28)37-15-14-32-21-37)17-16-36(19-24(38)18-27(31)39)30(40)34-23-6-10-25(41-2)11-7-23/h4-15,21,24H,3,16-20H2,1-2H3,(H2-,31,34,39,40)/p+1