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

Systemtic Name: 3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-butan-1-one CAS Name: 3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-phenylbutan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-butan-1-one Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-18(20-10-6-3-7-11-20)16-21(24)23-14-12-22(13-15-23)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3/p+1