(1S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2CCC=CC2

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C15H21N3O/c1-18(2)14-13(9-6-10-16-14)11-17-15(19)12-7-4-3-5-8-12/h3-4,6,9-10,12H,5,7-8,11H2,1-2H3,(H,17,19)/p+1/t12-/m1/s1