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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium Formula: C14H15ClNO3S+ MolecularWeight: 312.7918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3S/c1-16(7-10-2-3-14(15)20-10)6-9-4-12-13(5-11(9)17)19-8-18-12/h2-5,17H,6-8H2,1H3/p+1