(3,5-dimethoxyphenyl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C20H29N3O3+2 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCC(C3)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O)OC

InChI

InChI=1S/C20H27N3O3/c1-25-18-9-15(10-19(11-18)26-2)12-21-13-16-5-3-7-22-20(16)23-8-4-6-17(24)14-23/h3,5,7,9-11,17,21,24H,4,6,8,12-14H2,1-2H3/p+2/t17-/m0/s1