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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[1-(4-methylphenyl)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-4-[1-(p-tolyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-4-[1-(4-methylphenyl)ethyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[1-(4-methylphenyl)ethyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-4-[1-(p-tolyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C26H35N8O2+ MolecularWeight: 491.6085

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC=C2)N3C=CN=C3)C(C)C4=CC=C(C=C4)C

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC=C2)N3C=CN=C3)C(C)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H34N8O2/c1-4-10-30-26(36)32-14-15-34(22(17-32)16-23(27)35,20(3)21-7-5-19(2)6-8-21)24-9-11-29-25(31-24)33-13-12-28-18-33/h5-9,11-13,18,20,22H,4,10,14-17H2,1-3H3,(H2-,27,30,35,36)/p+1