1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methoxycarbonyl-3-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methoxycarbonyl-3-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-[(2-carbomethoxy-3-thienyl)amino]-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C21H25N2O5S+ MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C21H24N2O5S/c1-26-21(25)20-16(8-9-29-20)22-19(24)12-23(15-4-2-3-5-15)11-14-6-7-17-18(10-14)28-13-27-17/h6-10,15H,2-5,11-13H2,1H3,(H,22,24)/p+1