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

Systemtic Name: ethyl 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 5-methoxy-1,2-dimethyl-4-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]indole-3-carboxylic acid ethyl ester Formula: C28H35N4O6+ MolecularWeight: 523.6007

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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=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C

InChI

InChI=1S/C28H34N4O6/c1-5-36-28(34)25-18(2)30(3)20-7-9-22(35-4)27(26(20)25)29-24(33)16-32-12-10-31(11-13-32)15-19-6-8-21-23(14-19)38-17-37-21/h6-9,14H,5,10-13,15-17H2,1-4H3,(H,29,33)/p+1