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

Systemtic Name: ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1-methyl-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methyl-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate Traditional Name: 5-methoxy-1-methyl-3-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]indole-2-carboxylic acid ethyl ester Formula: C27H33N4O6+ MolecularWeight: 509.57412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H32N4O6/c1-4-35-27(33)26-25(20-14-19(34-3)6-7-21(20)29(26)2)28-24(32)16-31-11-9-30(10-12-31)15-18-5-8-22-23(13-18)37-17-36-22/h5-8,13-14H,4,9-12,15-17H2,1-3H3,(H,28,32)/p+1