[2-(cyclohexylamino)pyridin-1-ium-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone

Systemtic Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Openeye Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: [2-(cyclohexylamino)-1-pyridin-1-iumyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O3/c24-21(16-10-11-18-19(15-16)26-14-6-13-25-18)23-12-5-4-9-20(23)22-17-7-2-1-3-8-17/h4-5,9-12,15,17H,1-3,6-8,13-14H2/p+1