methyl 4-methoxy-3-[3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=CC(=C2)C)CCC(=O)NC3=C(NC4=C3C(=CC=C4)OC)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=CC(=C2)C)CCC(=O)NC3=C(NC4=C3C(=CC=C4)OC)C(=O)OC

InChI

InChI=1S/C26H32N4O4/c1-17-7-5-8-19(15-17)30-14-13-29(16-18(30)2)12-11-22(31)28-24-23-20(9-6-10-21(23)33-3)27-25(24)26(32)34-4/h5-10,15,18,27H,11-14,16H2,1-4H3,(H,28,31)/p+1/t18-/m0/s1