[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone Openeye Name: (4-cinnamylpiperazin-4-ium-1-yl)-[2-(4-isopropylphenyl)-4-quinolyl]methanone CAS Name: [4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone Traditional Name: (4-cinnamylpiperazin-4-ium-1-yl)-(2-p-cumenyl-4-quinolyl)methanone Formula: C32H34N3O+ MolecularWeight: 476.63186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

InChI

InChI=1S/C32H33N3O/c1-24(2)26-14-16-27(17-15-26)31-23-29(28-12-6-7-13-30(28)33-31)32(36)35-21-19-34(20-22-35)18-8-11-25-9-4-3-5-10-25/h3-17,23-24H,18-22H2,1-2H3/p+1