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

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CCCC3=CC=CC=C3)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-2-17(21)16-10-11-19-18(13-16)22(20(23)14-24-19)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,2,6,9,12,14,21H2,1H3/p+1/t17-/m0/s1