dimethyl-[1-(3-methyl-2-sulfanylidene-5,6-dihydro-4H-1,3-benzoxazocin-7-yl)ethyl]azanium

Systemtic Name: dimethyl-[1-(3-methyl-2-sulfanylidene-5,6-dihydro-4H-1,3-benzoxazocin-7-yl)ethyl]azanium Openeye Name: dimethyl-[1-(3-methyl-2-thioxo-5,6-dihydro-4H-1,3-benzoxazocin-7-yl)ethyl]ammonium CAS Name: dimethyl-[1-(3-methyl-2-sulfanylidene-5,6-dihydro-4H-1,3-benzoxazocin-7-yl)ethyl]ammonium IUPAC Name: dimethyl-[1-(3-methyl-2-sulfanylidene-5,6-dihydro-4H-1,3-benzoxazocin-7-yl)ethyl]azanium Traditional Name: dimethyl-[1-(3-methyl-2-thioxo-5,6-dihydro-4H-1,3-benzoxazocin-7-yl)ethyl]ammonium Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2CCCN(C(=S)OC2=CC=C1)C)[NH+](C)C

Isomeric SMILES

CC(C1=C2CCCN(C(=S)OC2=CC=C1)C)[NH+](C)C

InChI

InChI=1S/C15H22N2OS/c1-11(16(2)3)12-7-5-9-14-13(12)8-6-10-17(4)15(19)18-14/h5,7,9,11H,6,8,10H2,1-4H3/p+1