[2-(cyclohexylamino)pyridin-1-ium-1-yl]-quinolin-5-yl-methanone

Systemtic Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-quinolin-5-yl-methanone Openeye Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(5-quinolyl)methanone CAS Name: [2-(cyclohexylamino)-1-pyridin-1-iumyl]-(5-quinolinyl)methanone IUPAC Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-quinolin-5-ylmethanone Traditional Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(5-quinolyl)methanone Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C21H21N3O/c25-21(18-10-6-12-19-17(18)11-7-14-22-19)24-15-5-4-13-20(24)23-16-8-2-1-3-9-16/h4-7,10-16H,1-3,8-9H2/p+1