[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(3,4-dimethylphenyl)methanone Formula: C22H23ClN3O+ MolecularWeight: 380.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O/c1-15-3-4-17(13-16(15)2)22(27)26-11-9-25(10-12-26)21-7-8-24-20-14-18(23)5-6-19(20)21/h3-8,13-14H,9-12H2,1-2H3/p+1