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

Systemtic Name: (2S)-1-[2-(diphenylmethyl)benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-(diphenylmethyl)-1-benzimidazolyl]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C27H30N3O+ MolecularWeight: 412.5466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CC[NH+](C1)C[C@H](CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H29N3O/c31-23(19-29-17-9-10-18-29)20-30-25-16-8-7-15-24(25)28-27(30)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-8,11-16,23,26,31H,9-10,17-20H2/p+1/t23-/m1/s1