3-[(2S)-1-[(3-propoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[(3-propoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(3-propoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[(3-propoxyphenyl)methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(3-propoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-(3-propoxybenzyl)piperidin-1-ium-2-yl]pyridine Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C20H26N2O/c1-2-13-23-19-9-5-7-17(14-19)16-22-12-4-3-10-20(22)18-8-6-11-21-15-18/h5-9,11,14-15,20H,2-4,10,12-13,16H2,1H3/p+1/t20-/m0/s1