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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@H](CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

InChI

InChI=1S/C23H29N3O/c1-18-9-7-8-14-25(18)16-20(27)17-26-22-13-6-5-12-21(22)24-23(26)15-19-10-3-2-4-11-19/h2-6,10-13,18,20,27H,7-9,14-17H2,1H3/p+1/t18-,20+/m0/s1