4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-2-oxidanylidene-1H-quinoline-3-carbaldehyde

Systemtic Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-2-oxidanylidene-1H-quinoline-3-carbaldehyde Openeye Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-2-oxo-1H-quinoline-3-carbaldehyde CAS Name: 4-[3-(4-methyl-1-piperazine-1,4-diiumyl)propylamino]-2-oxo-1H-quinoline-3-carboxaldehyde IUPAC Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-2-oxo-1H-quinoline-3-carbaldehyde Traditional Name: 2-keto-4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-1H-quinoline-3-carbaldehyde Formula: C18H26N4O2+2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC2=C(C(=O)NC3=CC=CC=C32)C=O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC2=C(C(=O)NC3=CC=CC=C32)C=O

InChI

InChI=1S/C18H24N4O2/c1-21-9-11-22(12-10-21)8-4-7-19-17-14-5-2-3-6-16(14)20-18(24)15(17)13-23/h2-3,5-6,13H,4,7-12H2,1H3,(H2,19,20,24)/p+2