[(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[4-(4-tert-butylbenzyl)-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-5-18(23)16-8-11-20-19(12-16)24(21(25)14-26-20)13-15-6-9-17(10-7-15)22(2,3)4/h6-12,18H,5,13-14,23H2,1-4H3/p+1/t18-/m0/s1