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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(2,3-dimethoxyphenyl)methyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[(2,3-dimethoxyphenyl)methyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-o-veratryl-N-propyl-piperazin-4-ium-1-carboxamide Formula: C26H35N8O4+ MolecularWeight: 523.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=C(C(=CC=C2)OC)OC)C3=NC=NC(=C3)N4C=CN=C4

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=C(C(=CC=C2)OC)OC)C3=NC=NC(=C3)N4C=CN=C4

InChI

InChI=1S/C26H34N8O4/c1-4-8-29-26(36)32-11-12-34(20(15-32)13-22(27)35,16-19-6-5-7-21(37-2)25(19)38-3)24-14-23(30-17-31-24)33-10-9-28-18-33/h5-7,9-10,14,17-18,20H,4,8,11-13,15-16H2,1-3H3,(H2-,27,29,35,36)/p+1