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

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CC[NH+](CC3)CC(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CC[NH+](CC3)CC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-16-17-4-2-3-5-18(17)23-19(21(16)22)14-24-6-8-25(9-7-24)15-20(27)26-10-12-28-13-11-26/h2-5H,6-15H2,1H3/p+1