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

Systemtic Name: [2-(2-methylphenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[2-(o-tolyl)-4-quinolyl]methanone CAS Name: [2-(2-methylphenyl)-4-quinolinyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(2-methylphenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[2-(o-tolyl)-4-quinolyl]methanone Formula: C30H30N3O+ MolecularWeight: 448.5787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O/c1-23-10-5-6-14-25(23)29-22-27(26-15-7-8-16-28(26)31-29)30(34)33-20-18-32(19-21-33)17-9-13-24-11-3-2-4-12-24/h2-16,22H,17-21H2,1H3/p+1/b13-9+