4-(4-butylpiperidin-1-ium-1-yl)-1-(2-methylphenyl)butan-1-one

Systemtic Name: 4-(4-butylpiperidin-1-ium-1-yl)-1-(2-methylphenyl)butan-1-one Openeye Name: 4-(4-butylpiperidin-1-ium-1-yl)-1-(o-tolyl)butan-1-one CAS Name: 4-(4-butyl-1-piperidin-1-iumyl)-1-(2-methylphenyl)-1-butanone IUPAC Name: 4-(4-butylpiperidin-1-ium-1-yl)-1-(2-methylphenyl)butan-1-one Traditional Name: 4-(4-butylpiperidin-1-ium-1-yl)-1-(o-tolyl)butan-1-one Formula: C20H32NO+ MolecularWeight: 302.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC[NH+](CC1)CCCC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCC1CC[NH+](CC1)CCCC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3/p+1