[2-methyl-3-(methylamino)-1-oxidanyl-1H-2-benzazepin-2-ium-5-yl] ethanoate

Systemtic Name: [2-methyl-3-(methylamino)-1-oxidanyl-1H-2-benzazepin-2-ium-5-yl] ethanoate Openeye Name: [1-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-5-yl] acetate CAS Name: acetic acid [1-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-5-yl] ester IUPAC Name: [1-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-5-yl] acetate Traditional Name: acetic acid [1-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-5-yl] ester Formula: C14H17N2O3+ MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=[N+](C(C2=CC=CC=C21)O)C)NC

Isomeric SMILES

CC(=O)OC1=CC(=[N+](C(C2=CC=CC=C21)O)C)NC

InChI

InChI=1S/C14H16N2O3/c1-9(17)19-12-8-13(15-2)16(3)14(18)11-7-5-4-6-10(11)12/h4-8,14,18H,1-3H3/p+1