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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-phenoxy-butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-phenoxy-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenoxybutan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c30-26(17-10-22-31-25-15-8-3-9-16-25)28-18-20-29(21-19-28)27(23-11-4-1-5-12-23)24-13-6-2-7-14-24/h1-9,11-16,27H,10,17-22H2/p+1