[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]-[2-(2-thienyl)thiazol-4-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-thiophen-2-yl-4-thiazolyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]-[2-(2-thienyl)thiazol-4-yl]methanone Formula: C21H24N3OS2+ MolecularWeight: 398.56476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H23N3OS2/c1-16-6-2-3-7-17(16)14-23-9-5-10-24(12-11-23)21(25)18-15-27-20(22-18)19-8-4-13-26-19/h2-4,6-8,13,15H,5,9-12,14H2,1H3/p+1