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

Systemtic Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine CAS Name: 1-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazine Traditional Name: 1-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine Formula: C28H34N3O+ MolecularWeight: 428.58906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2CCN(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+1