[azanyl-[[(3S)-3-ethyl-3-methyl-4H-isoquinolin-1-yl]methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[[(3S)-3-ethyl-3-methyl-4H-isoquinolin-1-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[[(3S)-3-ethyl-3-methyl-4H-isoquinolin-1-yl]methylsulfanyl]methylene]ammonium CAS Name: [amino-[[(3S)-3-ethyl-3-methyl-4H-isoquinolin-1-yl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[(3S)-3-ethyl-3-methyl-4H-isoquinolin-1-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[[(3S)-3-ethyl-3-methyl-4H-isoquinolin-1-yl]methylthio]methylene]ammonium Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C(=N1)CSC(=[NH2+])N)C

Isomeric SMILES

CC[C@]1(CC2=CC=CC=C2C(=N1)CSC(=[NH2+])N)C

InChI

InChI=1S/C14H19N3S/c1-3-14(2)8-10-6-4-5-7-11(10)12(17-14)9-18-13(15)16/h4-7H,3,8-9H2,1-2H3,(H3,15,16)/p+1/t14-/m0/s1