1-[4-oxidanylidene-4-(phenethylamino)butyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[4-oxidanylidene-4-(phenethylamino)butyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[4-oxo-4-(phenethylamino)butyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[4-oxo-4-(phenethylamino)butyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[4-oxo-4-(phenethylamino)butyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[4-keto-4-(phenethylamino)butyl]pyridin-1-ium-3-carboxamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCC[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCC[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C18H21N3O2/c19-18(23)16-8-4-12-21(14-16)13-5-9-17(22)20-11-10-15-6-2-1-3-7-15/h1-4,6-8,12,14H,5,9-11,13H2,(H2-,19,20,22,23)/p+1