2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenol

Systemtic Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenol Openeye Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenol CAS Name: 2-[[[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]amino]methyl]phenol IUPAC Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenol Traditional Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenol Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC=CC=C4O

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC=CC=C4O

InChI

InChI=1S/C21H26N4O/c26-20-11-5-2-8-17(20)16-22-21-23-18-9-3-4-10-19(18)25(21)15-14-24-12-6-1-7-13-24/h2-5,8-11,26H,1,6-7,12-16H2,(H,22,23)/p+1