methyl 3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-5-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(=CC=C2)OC)CC(=O)NC3=C(NC4=C3C=C(C=C4)C)C(=O)OC

Isomeric SMILES

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

InChI

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