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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenyl-butan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-phenyl-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenylbutan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenyl-butan-1-one Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O/c30-26(18-10-13-23-11-4-1-5-12-23)28-19-21-29(22-20-28)27(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,27H,10,13,18-22H2/p+1