N-[[4-(3-methylbutoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine Openeye Name: N-[(4-isopentyloxyphenyl)methyl]-3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-amine CAS Name: N-[[4-(3-methylbutoxy)phenyl]methyl]-3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine Traditional Name: (4-isoamoxybenzyl)-[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]amine Formula: C25H35N4O2+ MolecularWeight: 423.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4

InChI

InChI=1S/C25H34N4O2/c1-20(2)11-16-31-22-9-7-21(8-10-22)19-26-25-27-23-5-3-4-6-24(23)29(25)13-12-28-14-17-30-18-15-28/h3-10,20H,11-19H2,1-2H3,(H,26,27)/p+1