[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: (2-methyl-4-quinolyl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: (2-methyl-4-quinolyl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C27H33N4O+ MolecularWeight: 429.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC(=NC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC(=NC5=CC=CC=C54)C

InChI

InChI=1S/C27H32N4O/c1-20-8-3-6-12-26(20)30-16-14-29(15-17-30)22-9-7-13-31(19-22)27(32)24-18-21(2)28-25-11-5-4-10-23(24)25/h3-6,8,10-12,18,22H,7,9,13-17,19H2,1-2H3/p+1/t22-/m0/s1