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

Systemtic Name: ethyl 5-methoxy-1,2-dimethyl-4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]indole-3-carboxylate Openeye Name: ethyl 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-methoxy-1,2-dimethyl-4-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C27H35N4O4+ MolecularWeight: 479.5912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H34N4O4/c1-5-35-27(33)24-19(2)29(3)21-11-12-22(34-4)26(25(21)24)28-23(32)18-31-15-13-30(14-16-31)17-20-9-7-6-8-10-20/h6-12H,5,13-18H2,1-4H3,(H,28,32)/p+1