3-methyl-4-(pyridin-1-ium-1-ylmethyl)-1,4-benzoxazepin-5-one

Systemtic Name: 3-methyl-4-(pyridin-1-ium-1-ylmethyl)-1,4-benzoxazepin-5-one Openeye Name: 3-methyl-4-(pyridin-1-ium-1-ylmethyl)-1,4-benzoxazepin-5-one CAS Name: 3-methyl-4-(1-pyridin-1-iumylmethyl)-1,4-benzoxazepin-5-one IUPAC Name: 3-methyl-4-(pyridin-1-ium-1-ylmethyl)-1,4-benzoxazepin-5-one Traditional Name: 3-methyl-4-(pyridin-1-ium-1-ylmethyl)-1,4-benzoxazepin-5-one Formula: C16H15N2O2+ MolecularWeight: 267.3025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC=CC=C2C(=O)N1C[N+]3=CC=CC=C3

Isomeric SMILES

CC1=COC2=CC=CC=C2C(=O)N1C[N+]3=CC=CC=C3

InChI

InChI=1S/C16H15N2O2/c1-13-11-20-15-8-4-3-7-14(15)16(19)18(13)12-17-9-5-2-6-10-17/h2-11H,12H2,1H3/q+1