N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)but-3-enamide

Systemtic Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)but-3-enamide Openeye Name: N-isobutyl-N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]but-3-enamide CAS Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methylpropyl)-3-butenamide IUPAC Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)but-3-enamide Traditional Name: N-isobutyl-N-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]but-3-enamide Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CC=C

Isomeric SMILES

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CC=C

InChI

InChI=1S/C22H34N2O2/c1-5-8-22(25)24(15-18(2)3)16-19-11-13-23(14-12-19)17-20-9-6-7-10-21(20)26-4/h5-7,9-10,18-19H,1,8,11-17H2,2-4H3/p+1