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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[2-(phenylmethyl)benzimidazol-1-yl]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-benzylbenzimidazol-1-yl)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-[2-(phenylmethyl)-1-benzimidazolyl]-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-benzylbenzimidazol-1-yl)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-benzylbenzimidazol-1-yl)propan-2-ol Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

InChI

InChI=1S/C23H29N3O/c27-20(17-25-14-8-1-2-9-15-25)18-26-22-13-7-6-12-21(22)24-23(26)16-19-10-4-3-5-11-19/h3-7,10-13,20,27H,1-2,8-9,14-18H2/p+1/t20-/m1/s1