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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(5-methylisoxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-(5-methyl-3-isoxazolyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-(5-methylisoxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O2/c1-13-11-16(20-24-13)19-17(23)22-8-2-7-21(9-10-22)12-14-3-5-15(18)6-4-14/h3-6,11H,2,7-10,12H2,1H3,(H,19,20,23)/p+1