1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Formula: C28H35N3O+2 MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O/c1-3-9-25(10-4-1)30-18-20-31(21-19-30)26-14-16-29(17-15-26)23-24-8-7-13-28(22-24)32-27-11-5-2-6-12-27/h1-13,22,26H,14-21,23H2/p+2