[2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [2-(cyclohexylamino)-1-pyridin-1-iumyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-morpholino-3-nitro-phenyl)methanone Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c27-22(25-11-5-4-8-21(25)23-18-6-2-1-3-7-18)17-9-10-19(20(16-17)26(28)29)24-12-14-30-15-13-24/h4-5,8-11,16,18H,1-3,6-7,12-15H2/p+1