methyl 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C19H26N4O3/c1-4-22-7-9-23(10-8-22)12-16(24)21-17-14-11-13(2)5-6-15(14)20-18(17)19(25)26-3/h5-6,11,20H,4,7-10,12H2,1-3H3,(H,21,24)/p+1