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

Systemtic Name: methyl 3-[2-(4-cyclohexylpiperazin-1-ium-1-yl)ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C23H32N4O4/c1-30-18-10-6-9-17-20(18)21(22(24-17)23(29)31-2)25-19(28)15-26-11-13-27(14-12-26)16-7-4-3-5-8-16/h6,9-10,16,24H,3-5,7-8,11-15H2,1-2H3,(H,25,28)/p+1