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

Systemtic Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-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-methyl-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H29N4O5+ MolecularWeight: 465.52156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C25H28N4O5/c1-16-3-5-19-18(11-16)23(24(26-19)25(31)32-2)27-22(30)14-29-9-7-28(8-10-29)13-17-4-6-20-21(12-17)34-15-33-20/h3-6,11-12,26H,7-10,13-15H2,1-2H3,(H,27,30)/p+1