7-chloranyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-quinolin-1-ium

Systemtic Name: 7-chloranyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-quinolin-1-ium Openeye Name: 7-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-quinolin-1-ium CAS Name: 7-chloro-2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-methylquinolin-1-ium IUPAC Name: 7-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylquinolin-1-ium Traditional Name: 7-chloro-2-[4-(2,3-dimethylphenyl)piperazino]-4-methyl-quinolin-1-ium Formula: C22H25ClN3+ MolecularWeight: 366.907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=[NH+]C4=C(C=CC(=C4)Cl)C(=C3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=[NH+]C4=C(C=CC(=C4)Cl)C(=C3)C)C

InChI

InChI=1S/C22H24ClN3/c1-15-5-4-6-21(17(15)3)25-9-11-26(12-10-25)22-13-16(2)19-8-7-18(23)14-20(19)24-22/h4-8,13-14H,9-12H2,1-3H3/p+1