(6-chloranyl-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(2-thienylmethyl)ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(2-thenyl)ammonium Formula: C15H17ClNO3S+ MolecularWeight: 326.81838

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C[NH+](CCO)CC3=CC=CS3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C[NH+](CCO)CC3=CC=CS3)Cl

InChI

InChI=1S/C15H16ClNO3S/c16-13-7-15-14(19-10-20-15)6-11(13)8-17(3-4-18)9-12-2-1-5-21-12/h1-2,5-7,18H,3-4,8-10H2/p+1