ethyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C25H30ClN4O4+ MolecularWeight: 485.9831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H29ClN4O4/c1-3-34-25(32)24-23(20-16-19(33-2)7-8-21(20)27-24)28-22(31)9-10-29-11-13-30(14-12-29)18-6-4-5-17(26)15-18/h4-8,15-16,27H,3,9-14H2,1-2H3,(H,28,31)/p+1