3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-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-propyl-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-propyl-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-propyl-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-propylpiperazin-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-propyl-piperazin-4-ium-1-carboxamide Formula: C25H32ClN8O2+ MolecularWeight: 512.02698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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