2-[4-(2-methylpropyl)phenyl]-N-[3-(1-prop-2-enylpiperidin-1-ium-1-yl)propyl]propanamide bromide

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-N-[3-(1-prop-2-enylpiperidin-1-ium-1-yl)propyl]propanamide bromide Openeye Name: N-[3-(1-allylpiperidin-1-ium-1-yl)propyl]-2-(4-isobutylphenyl)propanamide bromide CAS Name: 2-[4-(2-methylpropyl)phenyl]-N-[3-(1-prop-2-enyl-1-piperidin-1-iumyl)propyl]propanamide bromide IUPAC Name: 2-[4-(2-methylpropyl)phenyl]-N-[3-(1-prop-2-enylpiperidin-1-ium-1-yl)propyl]propanamide bromide Traditional Name: N-[3-(1-allylpiperidin-1-ium-1-yl)propyl]-2-(4-isobutylphenyl)propionamide bromide Formula: C24H39BrN2O MolecularWeight: 451.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCC[N+]2(CCCCC2)CC=C.[Br-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCC[N+]2(CCCCC2)CC=C.[Br-]

InChI

InChI=1S/C24H38N2O.BrH/c1-5-15-26(16-7-6-8-17-26)18-9-14-25-24(27)21(4)23-12-10-22(11-13-23)19-20(2)3;/h5,10-13,20-21H,1,6-9,14-19H2,2-4H3;1H