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

Systemtic Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-propyl]ammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C(C)C)[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@H](C(C)C)[NH3+])C

InChI

InChI=1S/C17H27N3O/c1-12(2)16(18)17(21)20-10-8-19(9-11-20)15-7-5-6-13(3)14(15)4/h5-7,12,16H,8-11,18H2,1-4H3/p+1/t16-/m0/s1