methyl 3-[2-(4-cyclohexylpiperazin-1-ium-1-yl)ethanoylamino]-6-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(4-cyclohexylpiperazin-1-ium-1-yl)ethanoylamino]-6-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C23H32N4O3/c1-16-8-9-18-19(14-16)24-22(23(29)30-2)21(18)25-20(28)15-26-10-12-27(13-11-26)17-6-4-3-5-7-17/h8-9,14,17,24H,3-7,10-13,15H2,1-2H3,(H,25,28)/p+1