(2-cyclopropylquinolin-4-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C25H28N3O+ MolecularWeight: 386.50932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C25H27N3O/c1-18-6-2-3-7-20(18)17-27-12-14-28(15-13-27)25(29)22-16-24(19-10-11-19)26-23-9-5-4-8-21(22)23/h2-9,16,19H,10-15,17H2,1H3/p+1