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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(3,4-dimethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-phenyl-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C32H39N8O4+ MolecularWeight: 599.70326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C32H38N8O4/c1-22(2)26-18-30(37-31(36-26)39-13-12-34-21-39)40(20-23-10-11-27(43-3)28(16-23)44-4)15-14-38(19-25(40)17-29(33)41)32(42)35-24-8-6-5-7-9-24/h5-13,16,18,21-22,25H,14-15,17,19-20H2,1-4H3,(H2-,33,35,41,42)/p+1