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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(3-methoxyphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(3-methoxyphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(3-methoxyphenyl)methyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(3-methoxyphenyl)methyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-m-anisyl-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(=CC=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=CC=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

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