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

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-propyl-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-propylpiperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-1-homoveratryl-4-(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)C2=NC(=NC(=C2)C)N3C=CN=C3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCNC(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)CCC4=CC(=C(C=C4)OC)OC

InChI

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