[4-[(butylcarbamothioylamino)methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[(butylcarbamothioylamino)methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[(butylcarbamothioylamino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[butylamino(sulfanylidene)methyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[(butylcarbamothioylamino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[(butylthiocarbamoylamino)methyl]benzyl]-dimethyl-ammonium Formula: C15H26N3S+ MolecularWeight: 280.45204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC=C(C=C1)C[NH+](C)C

Isomeric SMILES

CCCCNC(=S)NCC1=CC=C(C=C1)C[NH+](C)C

InChI

InChI=1S/C15H25N3S/c1-4-5-10-16-15(19)17-11-13-6-8-14(9-7-13)12-18(2)3/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,19)/p+1