1-[2-butyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-1-(phenylmethyl)-2H-pyridin-1-ium-6-amine

Systemtic Name: 1-[2-butyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-1-(phenylmethyl)-2H-pyridin-1-ium-6-amine Openeye Name: 1-benzyl-1-[2-butyl-4-(m-tolyl)thiazol-5-yl]-2H-pyridin-1-ium-6-amine CAS Name: 1-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-1-(phenylmethyl)-2H-pyridin-1-ium-6-amine IUPAC Name: 1-benzyl-1-[2-butyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2H-pyridin-1-ium-6-amine Traditional Name: [1-benzyl-1-[2-butyl-4-(m-tolyl)thiazol-5-yl]-2H-pyridin-1-ium-6-yl]amine Formula: C26H30N3S+ MolecularWeight: 416.6015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(S1)[N+]2(CC=CC=C2N)CC3=CC=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCC1=NC(=C(S1)[N+]2(CC=CC=C2N)CC3=CC=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H30N3S/c1-3-4-16-24-28-25(22-14-10-11-20(2)18-22)26(30-24)29(17-9-8-15-23(29)27)19-21-12-6-5-7-13-21/h5-15,18H,3-4,16-17,19,27H2,1-2H3/q+1