2-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(1,2-dimethylpiperazin-1-ium-1-yl)-4-phenyl-but-3-yn-1-one

Systemtic Name: 2-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(1,2-dimethylpiperazin-1-ium-1-yl)-4-phenyl-but-3-yn-1-one Openeye Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(1,2-dimethylpiperazin-1-ium-1-yl)-4-phenyl-but-3-yn-1-one CAS Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(1,2-dimethyl-1-piperazin-1-iumyl)-4-phenyl-3-butyn-1-one IUPAC Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(1,2-dimethylpiperazin-1-ium-1-yl)-4-phenylbut-3-yn-1-one Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(1,2-dimethylpiperazin-1-ium-1-yl)-4-phenyl-but-3-yn-1-one Formula: C28H35N2O3+ MolecularWeight: 447.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC[N+]1(C)C(=O)C(C#CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC1CNCC[N+]1(C)C(=O)C(C#CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C28H35N2O3/c1-21-20-29-17-18-30(21,2)28(31)25(15-13-22-9-5-4-6-10-22)23-14-16-26(32-3)27(19-23)33-24-11-7-8-12-24/h4-6,9-10,14,16,19,21,24-25,29H,7-8,11-12,17-18,20H2,1-3H3/q+1