N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxidanylidene-pentanamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxidanylidene-pentanamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxo-pentanamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-4-oxopentanamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxopentanamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-4-keto-valeramide Formula: C17H24ClN2O2+ MolecularWeight: 323.83766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O2/c1-13(21)4-9-17(22)19-16-3-2-10-20(12-16)11-14-5-7-15(18)8-6-14/h5-8,16H,2-4,9-12H2,1H3,(H,19,22)/p+1/t16-/m0/s1