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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-4-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-methylphenyl)methyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(4-methylbenzyl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C25H32ClN8O2+ MolecularWeight: 512.02698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C25H31ClN8O2/c1-3-8-29-25(36)32-11-12-34(20(15-32)13-22(27)35,16-19-6-4-18(2)5-7-19)23-14-21(26)30-24(31-23)33-10-9-28-17-33/h4-7,9-10,14,17,20H,3,8,11-13,15-16H2,1-2H3,(H2-,27,29,35,36)/p+1