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

Systemtic Name: (2S)-1-[2-(phenylmethyl)benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-benzylbenzimidazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-(phenylmethyl)-1-benzimidazolyl]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-benzylbenzimidazol-1-yl)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-benzylbenzimidazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](C1)C[C@H](CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

InChI

InChI=1S/C21H25N3O/c25-18(15-23-12-6-7-13-23)16-24-20-11-5-4-10-19(20)22-21(24)14-17-8-2-1-3-9-17/h1-5,8-11,18,25H,6-7,12-16H2/p+1/t18-/m1/s1