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

Systemtic Name: methyl 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H24N4O3/c1-3-21-8-10-22(11-9-21)12-15(23)20-16-13-6-4-5-7-14(13)19-17(16)18(24)25-2/h4-7,19H,3,8-12H2,1-2H3,(H,20,23)/p+1