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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(4-chlorophenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-chlorobenzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C28H30ClN8O2+ MolecularWeight: 546.0432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H29ClN8O2/c1-20-15-26(34-27(32-20)36-12-11-31-19-36)37(18-21-7-9-22(29)10-8-21)14-13-35(17-24(37)16-25(30)38)28(39)33-23-5-3-2-4-6-23/h2-12,15,19,24H,13-14,16-18H2,1H3,(H2-,30,33,38,39)/p+1