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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H33N3O/c33-25(21-31-19-11-1-2-12-20-31)22-32-27-18-10-9-17-26(27)30-29(32)28(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-10,13-18,25,28,33H,1-2,11-12,19-22H2/p+1/t25-/m1/s1