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

Systemtic Name: (3S)-1-[(4-cyanophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-cyanophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-cyanophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-cyanophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(4-cyanobenzyl)piperidin-1-ium-3-carboxamide Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C#N)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C#N)C(=O)N

InChI

InChI=1S/C14H17N3O/c15-8-11-3-5-12(6-4-11)9-17-7-1-2-13(10-17)14(16)18/h3-6,13H,1-2,7,9-10H2,(H2,16,18)/p+1/t13-/m0/s1