1,3-benzodioxol-5-ylmethyl-[2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-ethoxycarbonyl-5-isopropyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-ethoxycarbonyl-5-propan-2-yl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-5-isopropyl-2-thienyl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O5S/c1-5-26-21(25)15-9-18(13(2)3)29-20(15)22-19(24)11-23(4)10-14-6-7-16-17(8-14)28-12-27-16/h6-9,13H,5,10-12H2,1-4H3,(H,22,24)/p+1