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

Systemtic Name: 1-[3-oxidanylidene-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-oxo-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[3-oxo-3-(phenethylamino)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-oxo-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[3-keto-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c18-17(22)15-7-4-11-20(13-15)12-9-16(21)19-10-8-14-5-2-1-3-6-14/h1-7,11,13H,8-10,12H2,(H2-,18,19,21,22)/p+1