azepan-1-yl-[1-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(3-chloro-4-methyl-2-quinolyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(3-chloro-4-methyl-2-quinolinyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(3-chloro-4-methyl-2-quinolyl)methyl]piperidin-1-ium-4-yl]methanone Formula: C23H31ClN3O+ MolecularWeight: 400.96474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H30ClN3O/c1-17-19-8-4-5-9-20(19)25-21(22(17)24)16-26-14-10-18(11-15-26)23(28)27-12-6-2-3-7-13-27/h4-5,8-9,18H,2-3,6-7,10-16H2,1H3/p+1