[6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[6-bromo-2-(4-isopropylphenyl)-4-quinolyl]methanone CAS Name: [6-bromo-2-(4-propan-2-ylphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[6-bromo-2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(6-bromo-2-p-cumenyl-4-quinolyl)methanone Formula: C30H31BrN3O+ MolecularWeight: 529.49064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30BrN3O/c1-21(2)23-8-10-24(11-9-23)29-19-27(26-18-25(31)12-13-28(26)32-29)30(35)34-16-14-33(15-17-34)20-22-6-4-3-5-7-22/h3-13,18-19,21H,14-17,20H2,1-2H3/p+1