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

Systemtic Name: 3-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-2-yl]pyridine Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCCCC2C3=CN=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3)OC

InChI

InChI=1S/C19H24N2O/c1-15-12-16(8-9-19(15)22-2)14-21-11-4-3-7-18(21)17-6-5-10-20-13-17/h5-6,8-10,12-13,18H,3-4,7,11,14H2,1-2H3/p+1/t18-/m0/s1