(4-phenylmethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-phenylmethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzyloxyphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-phenylmethoxyphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-phenylmethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-benzoxyphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2/c28-24(27-16-14-26(15-17-27)18-20-10-12-25-13-11-20)22-6-8-23(9-7-22)29-19-21-4-2-1-3-5-21/h1-13H,14-19H2/p+1