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

Systemtic Name: methyl 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-1,5-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1,5-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1,5-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1,5-dimethylindole-2-carboxylate Traditional Name: 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1,5-dimethyl-indole-2-carboxylic acid methyl ester Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3/c1-5-23-8-10-24(11-9-23)13-17(25)21-18-15-12-14(2)6-7-16(15)22(3)19(18)20(26)27-4/h6-7,12H,5,8-11,13H2,1-4H3,(H,21,25)/p+1