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

Systemtic Name: ethyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C26H33N4O4+ MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H32N4O4/c1-5-34-26(32)25-24(20-15-19(33-4)9-10-21(20)27-25)28-23(31)16-29-11-13-30(14-12-29)22-8-6-7-17(2)18(22)3/h6-10,15,27H,5,11-14,16H2,1-4H3,(H,28,31)/p+1