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

Systemtic Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C17H20ClN3O2/c1-12-15(17(22)21-9-5-8-20(2)10-11-21)16(19-23-12)13-6-3-4-7-14(13)18/h3-4,6-7H,5,8-11H2,1-2H3/p+1