ethyl 5-methoxy-4-[2-[(2S)-4-(4-methoxyphenyl)-2-methyl-piperazin-1-ium-1-yl]ethanoylamino]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-4-[2-[(2S)-4-(4-methoxyphenyl)-2-methyl-piperazin-1-ium-1-yl]ethanoylamino]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-methoxy-4-[[2-[(2S)-4-(4-methoxyphenyl)-2-methyl-piperazin-1-ium-1-yl]acetyl]amino]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-methoxy-4-[[2-[(2S)-4-(4-methoxyphenyl)-2-methyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-4-[[2-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-ium-1-yl]acetyl]amino]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-methoxy-4-[[2-[(2S)-4-(4-methoxyphenyl)-2-methyl-piperazin-1-ium-1-yl]acetyl]amino]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C28H37N4O5+ MolecularWeight: 509.61718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3C)C4=CC=C(C=C4)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(C[C@@H]3C)C4=CC=C(C=C4)OC)C)C

InChI

InChI=1S/C28H36N4O5/c1-7-37-28(34)25-19(3)30(4)22-12-13-23(36-6)27(26(22)25)29-24(33)17-31-14-15-32(16-18(31)2)20-8-10-21(35-5)11-9-20/h8-13,18H,7,14-17H2,1-6H3,(H,29,33)/p+1/t18-/m0/s1