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

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

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

Isomeric SMILES

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

InChI

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