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

Systemtic Name: methyl 4-methoxy-3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O5+ MolecularWeight: 467.53744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5/c1-16-14-28(11-12-29(16)17-7-5-8-18(13-17)32-2)15-21(30)27-23-22-19(9-6-10-20(22)33-3)26-24(23)25(31)34-4/h5-10,13,16,26H,11-12,14-15H2,1-4H3,(H,27,30)/p+1/t16-/m0/s1