[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(5-chloranylthiophen-2-yl)methyl]-prop-2-enyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(5-chloranylthiophen-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(5-chloro-2-thienyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(5-chloro-2-thiophenyl)methyl]-prop-2-enylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-[(5-chloro-2-thienyl)methyl]ammonium Formula: C17H18ClN2O3S+ MolecularWeight: 365.85442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17ClN2O3S/c1-2-7-20(9-13-4-6-16(18)24-13)10-17(21)19-12-3-5-14-15(8-12)23-11-22-14/h2-6,8H,1,7,9-11H2,(H,19,21)/p+1