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

Systemtic Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[3-(4-piperonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C26H31N4O6+ MolecularWeight: 495.54754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N4O6/c1-33-20-5-3-4-18-23(20)24(25(27-18)26(32)34-2)28-22(31)8-9-29-10-12-30(13-11-29)15-17-6-7-19-21(14-17)36-16-35-19/h3-7,14,27H,8-13,15-16H2,1-2H3,(H,28,31)/p+1