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

Systemtic Name: methyl 3-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-6-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C20H27N4O5+ MolecularWeight: 403.45218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=CC(=C3)C)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=CC(=C3)C)C(=O)OC

InChI

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