(2S)-1-[(4-butoxyphenyl)methyl]-2-ethyl-piperidin-1-ium

Systemtic Name: (2S)-1-[(4-butoxyphenyl)methyl]-2-ethyl-piperidin-1-ium Openeye Name: (2S)-1-[(4-butoxyphenyl)methyl]-2-ethyl-piperidin-1-ium CAS Name: (2S)-1-[(4-butoxyphenyl)methyl]-2-ethylpiperidin-1-ium IUPAC Name: (2S)-1-[(4-butoxyphenyl)methyl]-2-ethylpiperidin-1-ium Traditional Name: (2S)-1-(4-butoxybenzyl)-2-ethyl-piperidin-1-ium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCCCC2CC

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO/c1-3-5-14-20-18-11-9-16(10-12-18)15-19-13-7-6-8-17(19)4-2/h9-12,17H,3-8,13-15H2,1-2H3/p+1/t17-/m0/s1