2-[2-methyl-2-[3-(methylamino)-3-(1-oxidanidylpyridin-1-ium-2-yl)propoxy]-3-oxidanylidene-4,5-dihydro-1H-1-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[2-methyl-2-[3-(methylamino)-3-(1-oxidanidylpyridin-1-ium-2-yl)propoxy]-3-oxidanylidene-4,5-dihydro-1H-1-benzazepin-4-yl]ethanoate Openeye Name: 2-[2-methyl-2-[3-(methylamino)-3-(1-oxidopyridin-1-ium-2-yl)propoxy]-3-oxo-4,5-dihydro-1H-1-benzazepin-4-yl]acetate CAS Name: 2-[2-methyl-2-[3-(methylamino)-3-(1-oxido-2-pyridin-1-iumyl)propoxy]-3-oxo-4,5-dihydro-1H-1-benzazepin-4-yl]acetate IUPAC Name: 2-[2-methyl-2-[3-(methylamino)-3-(1-oxidopyridin-1-ium-2-yl)propoxy]-3-oxo-4,5-dihydro-1H-1-benzazepin-4-yl]acetate Traditional Name: 2-[3-keto-2-methyl-2-[3-(methylamino)-3-(1-oxidopyridin-1-ium-2-yl)propoxy]-4,5-dihydro-1H-1-benzazepin-4-yl]acetate Formula: C22H26N3O5- MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(CC2=CC=CC=C2N1)CC(=O)[O-])OCCC(C3=CC=CC=[N+]3[O-])NC

Isomeric SMILES

CC1(C(=O)C(CC2=CC=CC=C2N1)CC(=O)[O-])OCCC(C3=CC=CC=[N+]3[O-])NC

InChI

InChI=1S/C22H27N3O5/c1-22(30-12-10-18(23-2)19-9-5-6-11-25(19)29)21(28)16(14-20(26)27)13-15-7-3-4-8-17(15)24-22/h3-9,11,16,18,23-24H,10,12-14H2,1-2H3,(H,26,27)/p-1