ethyl 5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-1H-indole-2-carboxylate Openeye Name: ethyl 5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1H-indole-2-carboxylate CAS Name: 5-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1H-indole-2-carboxylate Traditional Name: 5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-2-30-24(29)22-17-19-16-18(8-9-21(19)25-22)23(28)27-12-10-26(11-13-27)14-15-31-20-6-4-3-5-7-20/h3-9,16-17,25H,2,10-15H2,1H3/p+1