[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(2-phenylsulfanylphenyl)azanium

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(2-phenylsulfanylphenyl)azanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-(2-phenylsulfanylphenyl)ammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-[2-(phenylthio)phenyl]ammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(2-phenylsulfanylphenyl)azanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-[2-(phenylthio)phenyl]ammonium Formula: C23H23N2OS+ MolecularWeight: 375.50652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH2+]C3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH2+]C3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C23H22N2OS/c26-23(25-15-14-18-8-4-5-9-19(18)17-25)16-24-21-12-6-7-13-22(21)27-20-10-2-1-3-11-20/h1-13,24H,14-17H2/p+1