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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3,4-dimethoxyphenyl)butyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[1-(3,4-dimethoxyphenyl)butyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[1-(3,4-dimethoxyphenyl)butyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[1-(3,4-dimethoxyphenyl)butyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-[1-(3,4-dimethoxyphenyl)butyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C29H41N8O4+ MolecularWeight: 565.68704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=C(C=C1)OC)OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NCCC)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CCCC(C1=CC(=C(C=C1)OC)OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NCCC)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C29H40N8O4/c1-5-7-23(21-8-9-24(40-3)25(17-21)41-4)37(27-10-12-32-28(34-27)36-14-13-31-20-36)16-15-35(29(39)33-11-6-2)19-22(37)18-26(30)38/h8-10,12-14,17,20,22-23H,5-7,11,15-16,18-19H2,1-4H3,(H2-,30,33,38,39)/p+1