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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CCC2=CC(=C(C=C2)OC)OC)C3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=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)34-12-14-36(22(18-34)17-25(29)37,13-8-21-6-7-23(39-3)24(16-21)40-4)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