[(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-2,2-dimethyl-4-(3-phenylpropyl)-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)OC(C(=O)N2CCCC3=CC=CC=C3)(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCCC3=CC=CC=C3)(C)C)[NH3+]

InChI

InChI=1S/C22H28N2O2/c1-4-18(23)17-12-13-20-19(15-17)24(21(25)22(2,3)26-20)14-8-11-16-9-6-5-7-10-16/h5-7,9-10,12-13,15,18H,4,8,11,14,23H2,1-3H3/p+1/t18-/m0/s1