(2-propan-2-ylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-propan-2-ylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-isopropyl-4-quinolyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-propan-2-yl-4-quinolinyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-propan-2-ylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-isopropyl-4-quinolyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H24N4O/c1-16(2)20-15-18(17-7-3-4-8-19(17)24-20)22(27)26-13-11-25(12-14-26)21-9-5-6-10-23-21/h3-10,15-16H,11-14H2,1-2H3/p+1