phenyl-[4-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]methanone

Systemtic Name: phenyl-[4-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]methanone Openeye Name: [4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]phenyl]-phenyl-methanone CAS Name: phenyl-[4-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]phenyl]methanone IUPAC Name: [4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]phenyl]-phenylmethanone Traditional Name: [4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]phenyl]-phenyl-methanone Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c29-26(23-9-5-2-6-10-23)24-11-13-25(14-12-24)30-20-19-27-15-17-28(18-16-27)21-22-7-3-1-4-8-22/h1-14H,15-21H2/p+1