3-[4-[[2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-4-ium-1-yl]propanoic acid

Systemtic Name: 3-[4-[[2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-4-ium-1-yl]propanoic acid Openeye Name: 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-4-ium-1-yl]propanoic acid CAS Name: 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]-1-piperazin-4-iumyl]propanoic acid IUPAC Name: 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-4-ium-1-yl]propanoic acid Traditional Name: 3-[4-[[2-(2-keto-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-4-ium-1-yl]propionic acid Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O)CCC(=O)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O)CCC(=O)O

InChI

InChI=1S/C25H26N4O3/c30-24(31)7-8-28-9-11-29(12-10-28)16-17-5-6-22-19(13-17)15-23(26-22)20-14-18-3-1-2-4-21(18)27-25(20)32/h1-6,13-15,26H,7-12,16H2,(H,27,32)(H,30,31)/p+1