(2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]-1-benzimidazolyl]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-p-anisylbenzimidazol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2C[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C23H29N3O2/c1-28-20-11-9-18(10-12-20)15-23-24-21-7-3-4-8-22(21)26(23)17-19(27)16-25-13-5-2-6-14-25/h3-4,7-12,19,27H,2,5-6,13-17H2,1H3/p+1/t19-/m1/s1