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

Systemtic Name: 2-oxidanylidene-4-(2-piperidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde Openeye Name: 2-oxo-4-(2-piperidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde CAS Name: 2-oxo-4-[2-(1-piperidin-1-iumyl)ethylamino]-1H-quinoline-3-carboxaldehyde IUPAC Name: 2-oxo-4-(2-piperidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde Traditional Name: 2-keto-4-(2-piperidin-1-ium-1-ylethylamino)-1H-quinoline-3-carbaldehyde Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O

InChI

InChI=1S/C17H21N3O2/c21-12-14-16(18-8-11-20-9-4-1-5-10-20)13-6-2-3-7-15(13)19-17(14)22/h2-3,6-7,12H,1,4-5,8-11H2,(H2,18,19,22)/p+1