methyl 3-[2-[(3R)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(3R)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(3R)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3R)-4-(4-methoxyphenyl)-3-methyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3R)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-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=C(C=C2)OC)CC(=O)NC3=C(NC4=C3C=CC(=C4)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4/c1-16-5-10-20-21(13-16)26-24(25(31)33-4)23(20)27-22(30)15-28-11-12-29(17(2)14-28)18-6-8-19(32-3)9-7-18/h5-10,13,17,26H,11-12,14-15H2,1-4H3,(H,27,30)/p+1/t17-/m1/s1