dimethyl-[(2S)-2-[4-(4-methylpentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[4-(4-methylpentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-2-[4-(4-methylpentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-2-[4-(4-methyl-1-oxopentyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-2-[4-(4-methylpentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-2-[4-(4-methylpentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N1CCOC2=C(C1)C=C(C=C2)C(C)(C[NH+](C)C)O

Isomeric SMILES

CC(C)CCC(=O)N1CCOC2=C(C1)C=C(C=C2)[C@@](C)(C[NH+](C)C)O

InChI

InChI=1S/C20H32N2O3/c1-15(2)6-9-19(23)22-10-11-25-18-8-7-17(12-16(18)13-22)20(3,24)14-21(4)5/h7-8,12,15,24H,6,9-11,13-14H2,1-5H3/p+1/t20-/m1/s1