2-(4-chlorophenyl)sulfanylethyl-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azanium

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azanium Openeye Name: 2-(4-chlorophenyl)sulfanylethyl-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ammonium CAS Name: 2-[(4-chlorophenyl)thio]ethyl-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ammonium IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azanium Traditional Name: 2-[(4-chlorophenyl)thio]ethyl-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ammonium Formula: C18H21ClNO3S+ MolecularWeight: 366.88224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C[NH2+]CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C[NH2+]CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-21-16-10-13(11-17-18(16)23-8-7-22-17)12-20-6-9-24-15-4-2-14(19)3-5-15/h2-5,10-11,20H,6-9,12H2,1H3/p+1