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

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]ammonium Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C[NH2+]CC=C

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C[NH2+]CC=C

InChI

InChI=1S/C19H22N2O3S/c1-3-7-20-10-19(22)21(12-18-14(2)6-8-25-18)11-15-4-5-16-17(9-15)24-13-23-16/h3-6,8-9,20H,1,7,10-13H2,2H3/p+1