2-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde

Systemtic Name: 2-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde Openeye Name: 2-oxo-4-(2-pyrrolidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde CAS Name: 2-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethylamino]-1H-quinoline-3-carboxaldehyde IUPAC Name: 2-oxo-4-(2-pyrrolidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde Traditional Name: 2-keto-4-(2-pyrrolidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O

Isomeric SMILES

C1CC[NH+](C1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O

InChI

InChI=1S/C16H19N3O2/c20-11-13-15(17-7-10-19-8-3-4-9-19)12-5-1-2-6-14(12)18-16(13)21/h1-2,5-6,11H,3-4,7-10H2,(H2,17,18,21)/p+1