(2S)-1-[2-(diphenylmethyl)benzimidazol-1-yl]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-[2-(diphenylmethyl)benzimidazol-1-yl]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[2-(diphenylmethyl)-1-benzimidazolyl]-3-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Formula: C29H34N3O+ MolecularWeight: 440.59976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@H](CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H33N3O/c1-22-12-10-11-19-31(22)20-25(33)21-32-27-18-9-8-17-26(27)30-29(32)28(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-9,13-18,22,25,28,33H,10-12,19-21H2,1H3/p+1/t22-,25+/m0/s1