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

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[4-(phenoxymethyl)phenyl]methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[4-(phenoxymethyl)phenyl]methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-[4-(phenoxymethyl)phenyl]methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[4-(phenoxymethyl)phenyl]methanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[4-(phenoxymethyl)phenyl]methanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c29-26(23-13-11-22(12-14-23)21-31-25-9-5-2-6-10-25)28-17-15-27(16-18-28)19-20-30-24-7-3-1-4-8-24/h1-14H,15-21H2/p+1