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

Systemtic Name: ethyl 5-methoxy-3-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[2-[4-[(4-nitrophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[2-[4-(4-nitrobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-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(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O6/c1-3-36-25(32)24-23(20-14-19(35-2)8-9-21(20)26-24)27-22(31)16-29-12-10-28(11-13-29)15-17-4-6-18(7-5-17)30(33)34/h4-9,14,26H,3,10-13,15-16H2,1-2H3,(H,27,31)/p+1