4-phenoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-phenoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one CAS Name: 4-phenoxy-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-phenoxybutan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c24-21(12-7-17-25-20-10-5-2-6-11-20)23-15-13-22(14-16-23)18-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2/p+1