1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C16H21N3O2/c17-16(21)14-7-4-10-19(11-14)12-15(20)18-9-8-13-5-2-1-3-6-13/h4-5,7,10-11H,1-3,6,8-9,12H2,(H2-,17,18,20,21)/p+1