3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-phenyl-4-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[(4-methylphenyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(4-methylbenzyl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C29H33N8O2+ MolecularWeight: 525.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C29H32N8O2/c1-21-8-10-23(11-9-21)19-37(27-16-22(2)32-28(34-27)36-13-12-31-20-36)15-14-35(18-25(37)17-26(30)38)29(39)33-24-6-4-3-5-7-24/h3-13,16,20,25H,14-15,17-19H2,1-2H3,(H2-,30,33,38,39)/p+1