6-chloranyl-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-quinolin-1-ium

Systemtic Name: 6-chloranyl-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-quinolin-1-ium Openeye Name: 6-chloro-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-quinolin-1-ium CAS Name: 6-chloro-2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-methylquinolin-1-ium IUPAC Name: 6-chloro-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methylquinolin-1-ium Traditional Name: 6-chloro-2-[4-(2,5-dimethylphenyl)piperazino]-4-methyl-quinolin-1-ium Formula: C22H25ClN3+ MolecularWeight: 366.907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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