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

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-propyl-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-propylpiperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-4-homoveratryl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide Formula: C28H39N8O4+ MolecularWeight: 551.66046

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)[N+]1(CCN(CC1CC(=O)N)CCC2=CC(=C(C=C2)OC)OC)C3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

CCCNC(=O)[N+]1(CCN(CC1CC(=O)N)CCC2=CC(=C(C=C2)OC)OC)C3=NC(=NC(=C3)C)N4C=CN=C4

InChI

InChI=1S/C28H38N8O4/c1-5-9-31-28(38)36(26-15-20(2)32-27(33-26)35-12-10-30-19-35)14-13-34(18-22(36)17-25(29)37)11-8-21-6-7-23(39-3)24(16-21)40-4/h6-7,10,12,15-16,19,22H,5,8-9,11,13-14,17-18H2,1-4H3,(H2-,29,31,37,38)/p+1