2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H28ClN4O+ MolecularWeight: 387.92622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CC[NH+](CC3)CC(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CC[NH+](CC3)CC(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H27ClN4O/c1-16-17-6-2-3-7-18(17)23-19(21(16)22)14-24-10-12-25(13-11-24)15-20(27)26-8-4-5-9-26/h2-3,6-7H,4-5,8-15H2,1H3/p+1