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

Systemtic Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)(CCOC4=CC=CC=C4)CO

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@](C3)(CCOC4=CC=CC=C4)CO

InChI

InChI=1S/C23H29N3O2/c1-25-21-11-6-5-10-20(21)24-22(25)16-26-14-7-12-23(17-26,18-27)13-15-28-19-8-3-2-4-9-19/h2-6,8-11,27H,7,12-18H2,1H3/p+1/t23-/m0/s1