3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)O

InChI

InChI=1S/C24H28N4O3/c1-15-7-8-19-18(13-15)22(23(25-19)24(30)31)26-21(29)14-27-9-11-28(12-10-27)20-6-4-5-16(2)17(20)3/h4-8,13,25H,9-12,14H2,1-3H3,(H,26,29)(H,30,31)/p+1