(4-butylphenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-(C-propoxycarbonimidoyl)-propyl-azanium

Systemtic Name: (4-butylphenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-(C-propoxycarbonimidoyl)-propyl-azanium Openeye Name: (4-butylphenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-(propoxycarbonimidoyl)-propyl-ammonium CAS Name: [[[(4-butylphenyl)thio]amino]-oxomethyl]-[dimethylamino(oxo)methyl]-[imino(propoxy)methyl]-propylammonium IUPAC Name: (4-butylphenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-(C-propoxycarbonimidoyl)-propylazanium Traditional Name: [(4-butylphenyl)thio]carbamoyl-(dimethylcarbamoyl)-(propoxycarbonimidoyl)-propyl-ammonium Formula: C21H35N4O3S+ MolecularWeight: 423.5926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SNC(=O)[N+](CCC)(C(=N)OCCC)C(=O)N(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SNC(=O)[N+](CCC)(C(=N)OCCC)C(=O)N(C)C

InChI

InChI=1S/C21H34N4O3S/c1-6-9-10-17-11-13-18(14-12-17)29-23-20(26)25(15-7-2,21(27)24(4)5)19(22)28-16-8-3/h11-14,22H,6-10,15-16H2,1-5H3/p+1