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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=CC=CC(=C43)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=CC=CC(=C43)C)C(=O)OC)C

InChI

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