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

Systemtic Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[3-(4-piperonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C26H31N4O5+ MolecularWeight: 479.54814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O5/c1-17-3-5-20-19(13-17)24(25(27-20)26(32)33-2)28-23(31)7-8-29-9-11-30(12-10-29)15-18-4-6-21-22(14-18)35-16-34-21/h3-6,13-14,27H,7-12,15-16H2,1-2H3,(H,28,31)/p+1