methyl 6-methoxy-3-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 6-methoxy-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4/c1-16-6-5-7-18(12-16)29-11-10-28(14-17(29)2)15-22(30)27-23-20-9-8-19(32-3)13-21(20)26-24(23)25(31)33-4/h5-9,12-13,17,26H,10-11,14-15H2,1-4H3,(H,27,30)/p+1/t17-/m0/s1