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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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