1,4-diazepan-4-ium-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(4-methylthiazol-5-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(4-methyl-5-thiazolyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(4-methylthiazol-5-yl)methanone Formula: C10H16N3OS+ MolecularWeight: 226.31854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=C(SC=N1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C10H15N3OS/c1-8-9(15-7-12-8)10(14)13-5-2-3-11-4-6-13/h7,11H,2-6H2,1H3/p+1