2-[3-[(2-azanyl-4-methyl-phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate

Systemtic Name: 2-[3-[(2-azanyl-4-methyl-phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate Openeye Name: 2-[3-[(2-amino-4-methyl-phenyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol nitrate CAS Name: 2-[3-[(2-amino-4-methylphenyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol nitrate IUPAC Name: 2-[3-[(2-amino-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate Traditional Name: 2-[3-(2-amino-4-methyl-benzyl)-4-methyl-thiazol-3-ium-5-yl]ethanol nitrate Formula: C14H19N3O4S MolecularWeight: 325.38336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[N+]2=CSC(=C2C)CCO)N.[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C[N+]2=CSC(=C2C)CCO)N.[N+](=O)([O-])[O-]

InChI

InChI=1S/C14H19N2OS.NO3/c1-10-3-4-12(13(15)7-10)8-16-9-18-14(5-6-17)11(16)2;2-1(3)4/h3-4,7,9,17H,5-6,8,15H2,1-2H3;/q+1;-1