ethyl 3-[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C27H35N4O5+ MolecularWeight: 495.5906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C27H34N4O5/c1-6-36-27(33)26-25(19-14-22(34-4)23(35-5)15-20(19)28-26)29-24(32)16-30-9-11-31(12-10-30)21-8-7-17(2)13-18(21)3/h7-8,13-15,28H,6,9-12,16H2,1-5H3,(H,29,32)/p+1