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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C17H27N3O/c1-13(2)16(18)17(21)20-10-8-19(9-11-20)12-15-7-5-4-6-14(15)3/h4-7,13,16H,8-12,18H2,1-3H3/p+1/t16-/m0/s1