4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxidanylidene-1H-quinoline-3-carbaldehyde

Systemtic Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxidanylidene-1H-quinoline-3-carbaldehyde Openeye Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxo-1H-quinoline-3-carbaldehyde CAS Name: 4-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-2-oxo-1H-quinoline-3-carboxaldehyde IUPAC Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxo-1H-quinoline-3-carbaldehyde Traditional Name: 2-keto-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1H-quinoline-3-carbaldehyde Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=C(C(=O)NC3=CC=CC=C32)C=O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=C(C(=O)NC3=CC=CC=C32)C=O

InChI

InChI=1S/C19H25N3O2/c1-14-7-4-5-11-22(14)12-6-10-20-18-15-8-2-3-9-17(15)21-19(24)16(18)13-23/h2-3,8-9,13-14H,4-7,10-12H2,1H3,(H2,20,21,24)/p+1/t14-/m0/s1