(3S)-1-[2-[3-(3-chlorophenyl)propanoylamino]ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[3-(3-chlorophenyl)propanoylamino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[3-(3-chlorophenyl)propanoylamino]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[3-(3-chlorophenyl)propanoylamino]ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[3-(3-chlorophenyl)propanoylamino]ethyl]piperidin-1-ium-3-carboxamide Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCNC(=O)CCC2=CC(=CC=C2)Cl)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCNC(=O)CCC2=CC(=CC=C2)Cl)C(=O)N

InChI

InChI=1S/C17H24ClN3O2/c18-15-5-1-3-13(11-15)6-7-16(22)20-8-10-21-9-2-4-14(12-21)17(19)23/h1,3,5,11,14H,2,4,6-10,12H2,(H2,19,23)(H,20,22)/p+1/t14-/m0/s1