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

Systemtic Name: methyl 3-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-4-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

InChI

InChI=1S/C20H26N4O5/c1-4-29-20(27)24-10-8-23(9-11-24)12-15(25)22-17-16-13(2)6-5-7-14(16)21-18(17)19(26)28-3/h5-7,21H,4,8-12H2,1-3H3,(H,22,25)/p+1