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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[1-(3-methoxyphenyl)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[1-(3-methoxyphenyl)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-4-[1-(3-methoxyphenyl)ethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[1-(3-methoxyphenyl)ethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[1-(3-methoxyphenyl)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C29H33N8O3+ MolecularWeight: 541.62412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C1=CC(=CC=C1)OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C29H32N8O3/c1-21(22-7-6-10-25(17-22)40-2)37(27-11-12-32-28(34-27)36-14-13-31-20-36)16-15-35(19-24(37)18-26(30)38)29(39)33-23-8-4-3-5-9-23/h3-14,17,20-21,24H,15-16,18-19H2,1-2H3,(H2-,30,33,38,39)/p+1