[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]ammonium CAS Name: [(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H25N3O/c1-13(2)15(17)16(20)19-10-8-18(9-11-19)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3/p+2/t15-/m0/s1