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

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methylbutan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-butan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-14(2)12-16(19)18-10-8-17(9-11-18)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/p+1