(2S)-2-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: (2S)-2-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-butan-1-one CAS Name: (2S)-2-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-methylbutan-1-one Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-butan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-3-14(2)16(19)18-11-9-17(10-12-18)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/p+1/t14-/m0/s1