[(1S)-1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[3-oxo-4-(p-tolylmethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(4-methylbenzyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)COC3=C2C=C(C=C3)C(C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)COC3=C2C=C(C=C3)[C@H](C)[NH3+]

InChI

InChI=1S/C18H20N2O2/c1-12-3-5-14(6-4-12)10-20-16-9-15(13(2)19)7-8-17(16)22-11-18(20)21/h3-9,13H,10-11,19H2,1-2H3/p+1/t13-/m0/s1