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

Systemtic Name: [(2S,3S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[4-(3-methylphenyl)-1-piperazinyl]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]butyl]ammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC(=C2)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC(=C2)C)[NH3+]

InChI

InChI=1S/C17H27N3O/c1-4-14(3)16(18)17(21)20-10-8-19(9-11-20)15-7-5-6-13(2)12-15/h5-7,12,14,16H,4,8-11,18H2,1-3H3/p+1/t14-,16-/m0/s1