[(1S)-1-[(2S)-2-methyl-3-oxidanylidene-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[(2S)-2-methyl-3-oxidanylidene-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2S)-3-keto-2-methyl-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CCCCOC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CCCCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-15(22)17-10-11-20-19(14-17)23(21(24)16(2)26-20)12-6-7-13-25-18-8-4-3-5-9-18/h3-5,8-11,14-16H,6-7,12-13,22H2,1-2H3/p+1/t15-,16-/m0/s1