4-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(5-methylisoxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-(5-methyl-3-isoxazolyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-p-anisyl-1,4-diazepan-4-ium-1-carboxamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O3/c1-14-12-17(20-25-14)19-18(23)22-9-3-8-21(10-11-22)13-15-4-6-16(24-2)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,20,23)/p+1