(1S)-2-methyl-3-(methylamino)-1-oxidanyl-1,4-dihydro-2-benzazepin-2-ium-5-one

Systemtic Name: (1S)-2-methyl-3-(methylamino)-1-oxidanyl-1,4-dihydro-2-benzazepin-2-ium-5-one Openeye Name: (1S)-1-hydroxy-2-methyl-3-(methylamino)-1,4-dihydro-2-benzazepin-2-ium-5-one CAS Name: (1S)-1-hydroxy-2-methyl-3-(methylamino)-1,4-dihydro-2-benzazepin-2-ium-5-one IUPAC Name: (1S)-1-hydroxy-2-methyl-3-(methylamino)-1,4-dihydro-2-benzazepin-2-ium-5-one Traditional Name: (1S)-1-hydroxy-2-methyl-3-(methylamino)-1,4-dihydro-2-benzazepin-2-ium-5-one Formula: C12H15N2O2+ MolecularWeight: 219.2597

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[N+](C(C2=CC=CC=C2C(=O)C1)O)C

Isomeric SMILES

CNC1=[N+]([C@H](C2=CC=CC=C2C(=O)C1)O)C

InChI

InChI=1S/C12H14N2O2/c1-13-11-7-10(15)8-5-3-4-6-9(8)12(16)14(11)2/h3-6,12,16H,7H2,1-2H3/p+1/t12-/m0/s1