[azanyl(sulfanyl)methylidene]azanium; (8Z)-8-ethylidene-3-methoxy-6,7-dihydro-5H-isoquinoline; ethanoate

Systemtic Name: [azanyl(sulfanyl)methylidene]azanium; (8Z)-8-ethylidene-3-methoxy-6,7-dihydro-5H-isoquinoline; ethanoate Openeye Name: [amino(sulfanyl)methylene]ammonium; (8Z)-8-ethylidene-3-methoxy-6,7-dihydro-5H-isoquinoline; acetate CAS Name: [amino(mercapto)methylidene]ammonium; (8Z)-8-ethylidene-3-methoxy-6,7-dihydro-5H-isoquinoline; acetate IUPAC Name: [amino(sulfanyl)methylidene]azanium; (8Z)-8-ethylidene-3-methoxy-6,7-dihydro-5H-isoquinoline; acetate Traditional Name: [amino(mercapto)methylene]ammonium; (8Z)-8-ethylidene-3-methoxy-6,7-dihydro-5H-isoquinoline; acetate Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCCC2=CC(=NC=C21)OC.CC(=O)[O-].C(=[NH2+])(N)S

Isomeric SMILES

C/C=C\1/CCCC2=CC(=NC=C21)OC.CC(=O)[O-].C(=[NH2+])(N)S

InChI

InChI=1S/C12H15NO.C2H4O2.CH4N2S/c1-3-9-5-4-6-10-7-12(14-2)13-8-11(9)10;1-2(3)4;2-1(3)4/h3,7-8H,4-6H2,1-2H3;1H3,(H,3,4);(H4,2,3,4)/b9-3-;;