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

Systemtic Name: [1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(4-benzoxybenzyl)piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C30H36N3O2+ MolecularWeight: 470.62574

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O2/c34-30(33-21-19-32(20-22-33)28-9-5-2-6-10-28)27-15-17-31(18-16-27)23-25-11-13-29(14-12-25)35-24-26-7-3-1-4-8-26/h1-14,27H,15-24H2/p+1