propan-2-yl 5-aminocarbonyl-2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C24H31N4O6S+ MolecularWeight: 503.59114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C24H30N4O6S/c1-14(2)34-24(31)20-15(3)21(22(25)30)35-23(20)26-19(29)12-28-8-6-27(7-9-28)11-16-4-5-17-18(10-16)33-13-32-17/h4-5,10,14H,6-9,11-13H2,1-3H3,(H2,25,30)(H,26,29)/p+1