[6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone Openeye Name: [6-chloro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone CAS Name: [6-chloro-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]-phenylmethanone IUPAC Name: [6-chloro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenylmethanone Traditional Name: [6-chloro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone Formula: C21H22ClN3O+2 MolecularWeight: 367.87188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O/c1-24-9-11-25(12-10-24)20-17-13-16(22)7-8-19(17)23-14-18(20)21(26)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3/p+2