[2-(3-bromophenyl)-6-methyl-quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(3-bromophenyl)-6-methyl-quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(3-bromophenyl)-6-methyl-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(3-bromophenyl)-6-methyl-4-quinolinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(3-bromophenyl)-6-methyl-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C22H23BrN3O+ MolecularWeight: 425.34152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)C)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)C)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN3O/c1-15-6-7-20-18(12-15)19(22(27)26-10-8-25(2)9-11-26)14-21(24-20)16-4-3-5-17(23)13-16/h3-7,12-14H,8-11H2,1-2H3/p+1