1-oxidanidyl-2-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)pyridin-1-ium

Systemtic Name: 1-oxidanidyl-2-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)pyridin-1-ium Openeye Name: 1-oxido-2-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)pyridin-1-ium CAS Name: 1-oxido-2-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)pyridin-1-ium IUPAC Name: 1-oxido-2-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)pyridin-1-ium Traditional Name: 1-oxido-2-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)pyridin-1-ium Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C

InChI

InChI=1S/C18H19NO2/c1-13-7-8-17-14(10-13)15(11-18(2,3)12-21-17)16-6-4-5-9-19(16)20/h4-11H,12H2,1-3H3