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

Systemtic Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-4-chloranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-4-chloro-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-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]-4-chloro-1H-indole-2-carboxylate Traditional Name: 4-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=C2Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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