[(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2-methyl-4-(3-phenoxypropyl)-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)OC(C(=O)N2CCCOC3=CC=CC=C3)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCCOC3=CC=CC=C3)C)[NH3+]

InChI

InChI=1S/C21H26N2O3/c1-3-18(22)16-10-11-20-19(14-16)23(21(24)15(2)26-20)12-7-13-25-17-8-5-4-6-9-17/h4-6,8-11,14-15,18H,3,7,12-13,22H2,1-2H3/p+1/t15-,18+/m1/s1