(3R)-1-[(4-butoxyphenyl)methyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3R)-1-[(4-butoxyphenyl)methyl]-3-methyl-piperidin-1-ium Openeye Name: (3R)-1-[(4-butoxyphenyl)methyl]-3-methyl-piperidin-1-ium CAS Name: (3R)-1-[(4-butoxyphenyl)methyl]-3-methylpiperidin-1-ium IUPAC Name: (3R)-1-[(4-butoxyphenyl)methyl]-3-methylpiperidin-1-ium Traditional Name: (3R)-1-(4-butoxybenzyl)-3-methyl-piperidin-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO/c1-3-4-12-19-17-9-7-16(8-10-17)14-18-11-5-6-15(2)13-18/h7-10,15H,3-6,11-14H2,1-2H3/p+1/t15-/m1/s1