(3S)-N-[(4-chlorophenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(4-chlorophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(4-chlorophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(4-chlorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(4-chlorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-chlorobenzyl)piperidin-1-ium-3-carboxamide Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O/c14-12-5-3-10(4-6-12)8-16-13(17)11-2-1-7-15-9-11/h3-6,11,15H,1-2,7-9H2,(H,16,17)/p+1/t11-/m0/s1