(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-(oxidanylidenemethylidene)-(1,2,3,4-tetrahydroisoquinolin-3-yl)azanium

Systemtic Name: (1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-(oxidanylidenemethylidene)-(1,2,3,4-tetrahydroisoquinolin-3-yl)azanium Openeye Name: (1-carbamoyl-3-methylsulfanyl-propyl)-(oxomethylene)-(1,2,3,4-tetrahydroisoquinolin-3-yl)ammonium CAS Name: [1-amino-4-(methylthio)-1-oxobutan-2-yl]-(oxomethylidene)-(1,2,3,4-tetrahydroisoquinolin-3-yl)ammonium IUPAC Name: (1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-(oxomethylidene)-(1,2,3,4-tetrahydroisoquinolin-3-yl)azanium Traditional Name: [1-carbamoyl-3-(methylthio)propyl]-(ketomethylene)-(1,2,3,4-tetrahydroisoquinolin-3-yl)ammonium Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)[N+](=C=O)C1CC2=CC=CC=C2CN1

Isomeric SMILES

CSCCC(C(=O)N)[N+](=C=O)C1CC2=CC=CC=C2CN1

InChI

InChI=1S/C15H19N3O2S/c1-21-7-6-13(15(16)20)18(10-19)14-8-11-4-2-3-5-12(11)9-17-14/h2-5,13-14,17H,6-9H2,1H3,(H-,16,20)/p+1