2-(7-chloranyl-3,3,8-trimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(7-chloranyl-3,3,8-trimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(7-chloro-3,3,8-trimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(7-chloro-3,3,8-trimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(7-chloro-3,3,8-trimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(7-chloro-3,3,8-trimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C18H18ClNO2 MolecularWeight: 315.79402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C)Cl

InChI

InChI=1S/C18H18ClNO2/c1-12-8-17-13(9-15(12)19)14(10-18(2,3)11-22-17)16-6-4-5-7-20(16)21/h4-10H,11H2,1-3H3