(3S)-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(4-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O/c16-12(11-2-1-5-14-9-11)15-8-10-3-6-13-7-4-10/h3-4,6-7,11,14H,1-2,5,8-9H2,(H,15,16)/p+1/t11-/m0/s1