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

Systemtic Name: methyl 3-[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C(=CC=C4)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C(=CC=C4)OC)C(=O)OC)C

InChI

InChI=1S/C25H30N4O4/c1-16-8-9-19(17(2)14-16)29-12-10-28(11-13-29)15-21(30)27-23-22-18(6-5-7-20(22)32-3)26-24(23)25(31)33-4/h5-9,14,26H,10-13,15H2,1-4H3,(H,27,30)/p+1