2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone Formula: C22H25N3O+2 MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CC[NH+](CC3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CC[NH+](CC3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O/c1-17-15-21(19-9-5-6-10-20(19)23-17)25-13-11-24(12-14-25)16-22(26)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3/p+2