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

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-methyl-but-2-enamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3-methyl-2-butenamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-methylbut-2-enamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-3-methyl-but-2-enamide Formula: C17H24ClN2O+ MolecularWeight: 307.83826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1CCC[NH+](C1)CC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC(=CC(=O)N[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H23ClN2O/c1-13(2)10-17(21)19-16-4-3-9-20(12-16)11-14-5-7-15(18)8-6-14/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1