(4-phenylphenyl)-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (4-phenylphenyl)-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: (4-phenylphenyl)-[4-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: (4-phenylphenyl)-[4-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (4-phenylphenyl)-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (4-phenylphenyl)-[4-(4-phenylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c32-28(25-13-11-24(12-14-25)23-7-3-1-4-8-23)31-17-15-27(16-18-31)30-21-19-29(20-22-30)26-9-5-2-6-10-26/h1-14,27H,15-22H2/p+1