5-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole

Systemtic Name: 5-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole Openeye Name: 5-methyl-2-(3-methyl-2-thienyl)-4-[[4-(o-tolyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole CAS Name: 5-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-(3-methyl-2-thiophenyl)oxazole IUPAC Name: 5-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole Traditional Name: 5-methyl-2-(3-methyl-2-thienyl)-4-[[4-(o-tolyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C22H27N3OS/c1-16-7-4-5-8-20(16)25-11-6-10-24(12-13-25)15-19-18(3)26-22(23-19)21-17(2)9-14-27-21/h4-5,7-9,14H,6,10-13,15H2,1-3H3/p+1