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

Systemtic Name: 3-[(2S)-1-[(3-butoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(3-butoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[(3-butoxyphenyl)methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(3-butoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-(3-butoxybenzyl)piperidin-1-ium-2-yl]pyridine Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C21H28N2O/c1-2-3-14-24-20-10-6-8-18(15-20)17-23-13-5-4-11-21(23)19-9-7-12-22-16-19/h6-10,12,15-16,21H,2-5,11,13-14,17H2,1H3/p+1/t21-/m0/s1