3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(3-chloranyl-4-methoxy-phenyl)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-chloranyl-4-methoxy-phenyl)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-chloro-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(3-chloro-4-methoxyphenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(3-chloro-4-methoxy-benzyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C25H32ClN8O3+ MolecularWeight: 528.02638

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)Cl)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN8O3/c1-3-7-30-25(36)32-11-12-34(19(15-32)14-22(27)35,16-18-4-5-21(37-2)20(26)13-18)23-6-8-29-24(31-23)33-10-9-28-17-33/h4-6,8-10,13,17,19H,3,7,11-12,14-16H2,1-2H3,(H2-,27,30,35,36)/p+1