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

Systemtic Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(o-tolyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole CAS Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole IUPAC Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-methyl-4-[[4-(o-tolyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-p-phenetyl-oxazole Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C25H31N3O2/c1-4-29-22-12-10-21(11-13-22)25-26-23(20(3)30-25)18-27-14-7-15-28(17-16-27)24-9-6-5-8-19(24)2/h5-6,8-13H,4,7,14-18H2,1-3H3/p+1