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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[1-(4-methoxyphenyl)ethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C30H35N8O3+ MolecularWeight: 555.6507

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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)C(C)C5=CC=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H34N8O3/c1-21-17-28(35-29(33-21)37-14-13-32-20-37)38(22(2)23-9-11-26(41-3)12-10-23)16-15-36(19-25(38)18-27(31)39)30(40)34-24-7-5-4-6-8-24/h4-14,17,20,22,25H,15-16,18-19H2,1-3H3,(H2-,31,34,39,40)/p+1