methyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C26H33N4O5+ MolecularWeight: 481.56402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=CC(=C(C=C43)OC)OC)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=CC(=C(C=C43)OC)OC)C(=O)OC)C

InChI

InChI=1S/C26H32N4O5/c1-16-7-6-8-20(17(16)2)30-11-9-29(10-12-30)15-23(31)28-24-18-13-21(33-3)22(34-4)14-19(18)27-25(24)26(32)35-5/h6-8,13-14,27H,9-12,15H2,1-5H3,(H,28,31)/p+1