3-[(2S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-(2,4-dimethoxy-3-methyl-benzyl)piperidin-1-ium-2-yl]pyridine Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCCCC2C3=CN=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCCC[C@H]2C3=CN=CC=C3)OC

InChI

InChI=1S/C20H26N2O2/c1-15-19(23-2)10-9-17(20(15)24-3)14-22-12-5-4-8-18(22)16-7-6-11-21-13-16/h6-7,9-11,13,18H,4-5,8,12,14H2,1-3H3/p+1/t18-/m0/s1