3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-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-ylpyrimidin-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-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(4-chlorophenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-chlorobenzyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C24H30ClN8O2+ MolecularWeight: 498.0004

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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)N4C=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN8O2/c1-2-8-29-24(35)31-12-13-33(20(15-31)14-21(26)34,16-18-3-5-19(25)6-4-18)22-7-9-28-23(30-22)32-11-10-27-17-32/h3-7,9-11,17,20H,2,8,12-16H2,1H3,(H2-,26,29,34,35)/p+1