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

Systemtic Name: 2-(2-ethoxyphenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(2-ethoxyphenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 2-(2-ethoxyphenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole IUPAC Name: 2-(2-ethoxyphenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-methyl-2-o-phenetyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-3-28-23-13-8-7-12-21(23)24-25-22(19(2)29-24)18-26-14-9-15-27(17-16-26)20-10-5-4-6-11-20/h4-8,10-13H,3,9,14-18H2,1-2H3/p+1