[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)(CC4=CC=CC=C4)CO

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@](C3)(CC4=CC=CC=C4)CO

InChI

InChI=1S/C22H27N3O/c1-24-20-11-6-5-10-19(20)23-21(24)15-25-13-7-12-22(16-25,17-26)14-18-8-3-2-4-9-18/h2-6,8-11,26H,7,12-17H2,1H3/p+1/t22-/m0/s1