1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c25-21(19-7-3-1-4-8-19)11-12-22(26)24-15-13-23(14-16-24)17-18-27-20-9-5-2-6-10-20/h1-10H,11-18H2/p+1