ethyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H30N4O4/c1-3-33-25(31)24-23(18-8-4-5-9-19(18)26-24)27-22(30)12-13-28-14-16-29(17-15-28)20-10-6-7-11-21(20)32-2/h4-11,26H,3,12-17H2,1-2H3,(H,27,30)/p+1