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

Systemtic Name: [(2S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[4-(3-methylphenyl)-1-piperazinyl]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-12(2)15(17)16(20)19-9-7-18(8-10-19)14-6-4-5-13(3)11-14/h4-6,11-12,15H,7-10,17H2,1-3H3/p+1/t15-/m0/s1