carbamothioyl-cyclohexyl-(1-isoquinolin-3-ylethylamino)-methyl-azanium

Systemtic Name: carbamothioyl-cyclohexyl-(1-isoquinolin-3-ylethylamino)-methyl-azanium Openeye Name: carbamothioyl-cyclohexyl-[1-(3-isoquinolyl)ethylamino]-methyl-ammonium CAS Name: carbamothioyl-cyclohexyl-[1-(3-isoquinolinyl)ethylamino]-methylammonium IUPAC Name: carbamothioyl-cyclohexyl-(1-isoquinolin-3-ylethylamino)-methylazanium Traditional Name: cyclohexyl-[1-(3-isoquinolyl)ethylamino]-methyl-thiocarbamoyl-ammonium Formula: C19H27N4S+ MolecularWeight: 343.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=N1)N[N+](C)(C3CCCCC3)C(=S)N

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=N1)N[N+](C)(C3CCCCC3)C(=S)N

InChI

InChI=1S/C19H26N4S/c1-14(18-12-15-8-6-7-9-16(15)13-21-18)22-23(2,19(20)24)17-10-4-3-5-11-17/h6-9,12-14,17,22H,3-5,10-11H2,1-2H3,(H-,20,24)/p+1