4-[2-(azepan-1-ium-1-yl)ethylamino]-2-oxidanylidene-1H-quinoline-3-carbaldehyde

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-2-oxidanylidene-1H-quinoline-3-carbaldehyde Openeye Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde CAS Name: 4-[2-(1-azepan-1-iumyl)ethylamino]-2-oxo-1H-quinoline-3-carboxaldehyde IUPAC Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-2-oxo-1H-quinoline-3-carbaldehyde Traditional Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-2-keto-1H-quinoline-3-carbaldehyde Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O

Isomeric SMILES

C1CCC[NH+](CC1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O

InChI

InChI=1S/C18H23N3O2/c22-13-15-17(14-7-3-4-8-16(14)20-18(15)23)19-9-12-21-10-5-1-2-6-11-21/h3-4,7-8,13H,1-2,5-6,9-12H2,(H2,19,20,23)/p+1