N-[3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanamide

Systemtic Name: N-[3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanamide Openeye Name: N-[3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]acetamide CAS Name: N-[3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]acetamide IUPAC Name: N-[3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]acetamide Traditional Name: N-[3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]acetamide Formula: C17H18ClN2O2+ MolecularWeight: 317.79002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)OC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)OC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O2/c1-12(21)19-16-6-7-17-14(8-16)10-20(11-22-17)9-13-2-4-15(18)5-3-13/h2-8H,9-11H2,1H3,(H,19,21)/p+1