(2-cyclopropylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-cyclopropylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H23N4O+ MolecularWeight: 359.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H22N4O/c27-22(26-13-11-25(12-14-26)21-7-3-4-10-23-21)18-15-20(16-8-9-16)24-19-6-2-1-5-17(18)19/h1-7,10,15-16H,8-9,11-14H2/p+1