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

Systemtic Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-5-chloranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-chloro-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-chloro-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H26ClN4O5+ MolecularWeight: 485.94004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25ClN4O5/c1-32-24(31)23-22(17-11-16(25)3-4-18(17)26-23)27-21(30)13-29-8-6-28(7-9-29)12-15-2-5-19-20(10-15)34-14-33-19/h2-5,10-11,26H,6-9,12-14H2,1H3,(H,27,30)/p+1