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

Systemtic Name: methyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O3+ MolecularWeight: 435.53864

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-16-8-9-20-19(14-16)23(24(26-20)25(31)32-4)27-22(30)15-28-10-12-29(13-11-28)21-7-5-6-17(2)18(21)3/h5-9,14,26H,10-13,15H2,1-4H3,(H,27,30)/p+1