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

Systemtic Name: methyl 3-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-[(4-nitrophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(4-nitrobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H26N5O5+ MolecularWeight: 452.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5/c1-33-23(30)22-21(18-4-2-3-5-19(18)24-22)25-20(29)15-27-12-10-26(11-13-27)14-16-6-8-17(9-7-16)28(31)32/h2-9,24H,10-15H2,1H3,(H,25,29)/p+1