[(1S)-1-[3-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[4-[(4-isopropylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[4-(4-isopropylbenzyl)-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(C)C)[NH3+]

InChI

InChI=1S/C21H26N2O2/c1-4-18(22)17-9-10-20-19(11-17)23(21(24)13-25-20)12-15-5-7-16(8-6-15)14(2)3/h5-11,14,18H,4,12-13,22H2,1-3H3/p+1/t18-/m0/s1