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

Systemtic Name: 2-methyl-3-[4-[[2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-4-ium-1-yl]propanoic acid Openeye Name: 2-methyl-3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-4-ium-1-yl]propanoic acid CAS Name: 2-methyl-3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]-1-piperazin-4-iumyl]propanoic acid IUPAC Name: 2-methyl-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]-2-methyl-propionic acid Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O)C(=O)O

Isomeric SMILES

CC(CN1CC[NH+](CC1)CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O)C(=O)O

InChI

InChI=1S/C26H28N4O3/c1-17(26(32)33)15-29-8-10-30(11-9-29)16-18-6-7-23-20(12-18)14-24(27-23)21-13-19-4-2-3-5-22(19)28-25(21)31/h2-7,12-14,17,27H,8-11,15-16H2,1H3,(H,28,31)(H,32,33)/p+1