[(3S)-1-[(4-butoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(4-butoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(4-butoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(4-butoxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(4-butoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(4-butoxybenzyl)piperidin-1-ium-3-yl]methanol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCCC(C2)CO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CO

InChI

InChI=1S/C17H27NO2/c1-2-3-11-20-17-8-6-15(7-9-17)12-18-10-4-5-16(13-18)14-19/h6-9,16,19H,2-5,10-14H2,1H3/p+1/t16-/m0/s1