(5-chloranylthiophen-2-yl)methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C16H17ClNO3S+ MolecularWeight: 338.82908

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C16H16ClNO3S/c1-2-5-18(9-12-3-4-16(17)22-12)8-11-6-14-15(7-13(11)19)21-10-20-14/h2-4,6-7,19H,1,5,8-10H2/p+1