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

Systemtic Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenolate Openeye Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenolate CAS Name: 2-[[[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]amino]methyl]phenolate IUPAC Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenolate Traditional Name: 2-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methyl]phenolate Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC=CC=C4[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC=CC=C4[O-]

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)