[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]ammonium Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

Isomeric SMILES

C=CC[NH2+]CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

InChI

InChI=1S/C18H20N2O3S/c1-2-7-19-10-18(21)20(12-15-4-3-8-24-15)11-14-5-6-16-17(9-14)23-13-22-16/h2-6,8-9,19H,1,7,10-13H2/p+1