[1-[(2S)-5-methylhexan-2-yl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2S)-5-methylhexan-2-yl]piperidin-4-yl]azanium Openeye Name: [1-[(1S)-1,4-dimethylpentyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-5-methylhexan-2-yl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-5-methylhexan-2-yl]piperidin-4-yl]azanium Traditional Name: [1-[(1S)-1,4-dimethylpentyl]-4-piperidyl]ammonium Formula: C12H27N2+ MolecularWeight: 199.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)N1CCC(CC1)[NH3+]

Isomeric SMILES

C[C@@H](CCC(C)C)N1CCC(CC1)[NH3+]

InChI

InChI=1S/C12H26N2/c1-10(2)4-5-11(3)14-8-6-12(13)7-9-14/h10-12H,4-9,13H2,1-3H3/p+1/t11-/m0/s1