4-(2,4-dimethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-amine

Systemtic Name: 4-(2,4-dimethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-amine Openeye Name: 4-(2,4-dimethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-amine CAS Name: 4-(2,4-dimethylphenyl)-5-(1-pyrrolidin-1-iumylmethyl)-2-thiazolamine IUPAC Name: 4-(2,4-dimethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-amine Traditional Name: [4-(2,4-dimethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]amine Formula: C16H22N3S+ MolecularWeight: 288.43098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(SC(=N2)N)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(SC(=N2)N)C[NH+]3CCCC3)C

InChI

InChI=1S/C16H21N3S/c1-11-5-6-13(12(2)9-11)15-14(20-16(17)18-15)10-19-7-3-4-8-19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,17,18)/p+1