ethyl 5-methoxy-1-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-1-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]indole-2-carboxylate Openeye Name: ethyl 5-methoxy-1-methyl-3-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]indole-2-carboxylate CAS Name: 5-methoxy-1-methyl-3-[[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1-methyl-3-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]indole-2-carboxylate Traditional Name: 5-methoxy-1-methyl-3-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]indole-2-carboxylic acid ethyl ester Formula: C25H30N5O6+ MolecularWeight: 496.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O6/c1-4-36-25(32)24-23(20-15-19(35-3)9-10-21(20)27(24)2)26-22(31)16-28-11-13-29(14-12-28)17-5-7-18(8-6-17)30(33)34/h5-10,15H,4,11-14,16H2,1-3H3,(H,26,31)/p+1