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

Systemtic Name: (2S)-1-[2-(diphenylmethyl)benzimidazol-1-yl]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-(diphenylmethyl)-1-benzimidazolyl]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-benzhydrylbenzimidazol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H31N3O/c32-24(20-30-18-10-3-11-19-30)21-31-26-17-9-8-16-25(26)29-28(31)27(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-2,4-9,12-17,24,27,32H,3,10-11,18-21H2/p+1/t24-/m1/s1