methyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C26H33N4O4+ MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(NC4=C3C=CC(=C4)OC)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(NC4=C3C=CC(=C4)OC)C(=O)OC)C

InChI

InChI=1S/C26H32N4O4/c1-17-6-5-7-22(18(17)2)30-14-12-29(13-15-30)11-10-23(31)28-24-20-9-8-19(33-3)16-21(20)27-25(24)26(32)34-4/h5-9,16,27H,10-15H2,1-4H3,(H,28,31)/p+1