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

Systemtic Name: methyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)OC

InChI

InChI=1S/C26H32N4O3/c1-17-8-9-21-20(16-17)24(25(27-21)26(32)33-4)28-23(31)10-11-29-12-14-30(15-13-29)22-7-5-6-18(2)19(22)3/h5-9,16,27H,10-15H2,1-4H3,(H,28,31)/p+1