1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-1-ium-4-carboxamide Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[N+]2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C[N+]2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C14H19N3O2/c15-14(19)12-5-9-16(10-6-12)11-13(18)17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8,11H2,(H-,15,19)/p+1