[(1S)-1-[4-(naphthalen-1-ylmethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[4-(naphthalen-1-ylmethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[4-(1-naphthylmethyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[4-(1-naphthalenylmethyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[4-(naphthalen-1-ylmethyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(1-naphthylmethyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC4=CC=CC=C43)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C22H22N2O2/c1-2-19(23)16-10-11-21-20(12-16)24(22(25)14-26-21)13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,19H,2,13-14,23H2,1H3/p+1/t19-/m0/s1