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

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)OC

InChI

InChI=1S/C22H22ClN3O3/c1-28-20-6-3-15(13-21(20)29-2)22(27)26-11-9-25(10-12-26)19-7-8-24-18-14-16(23)4-5-17(18)19/h3-8,13-14H,9-12H2,1-2H3/p+1