(4-phenethylpiperazin-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-[2-(phenoxymethyl)phenyl]methanone IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-[2-(phenoxymethyl)phenyl]methanone Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4

InChI

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