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

Systemtic Name: methyl 5-chloranyl-3-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[2-[4-[(4-nitrophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-[4-(4-nitrobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H25ClN5O5+ MolecularWeight: 486.9281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O5/c1-34-23(31)22-21(18-12-16(24)4-7-19(18)25-22)26-20(30)14-28-10-8-27(9-11-28)13-15-2-5-17(6-3-15)29(32)33/h2-7,12,25H,8-11,13-14H2,1H3,(H,26,30)/p+1