(2R)-3-methyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: (2R)-3-methyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-phenyl-butan-1-one CAS Name: (2R)-3-methyl-2-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-phenylbutan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-phenyl-butan-1-one Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-18(2)21(20-11-7-4-8-12-20)22(25)24-15-13-23(14-16-24)17-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3/p+1/t21-/m1/s1