1-[4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-benzyloxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-benzoxybenzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c1-21(29)24-10-12-25(13-11-24)28-16-14-27(15-17-28)19-23-8-5-9-26(18-23)30-20-22-6-3-2-4-7-22/h2-13,18H,14-17,19-20H2,1H3/p+1