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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O/c1-3-13(2)17(21)19-16-5-4-10-20(12-16)11-14-6-8-15(18)9-7-14/h3,6-9,16H,4-5,10-12H2,1-2H3,(H,19,21)/p+1/b13-3+/t16-/m0/s1