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

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CCCCOC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCCCOC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C21H26N2O3/c1-2-18(22)16-10-11-20-19(14-16)23(21(24)15-26-20)12-6-7-13-25-17-8-4-3-5-9-17/h3-5,8-11,14,18H,2,6-7,12-13,15,22H2,1H3/p+1/t18-/m0/s1