[(3S,4R)-1-methyl-3-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(3S,4R)-1-methyl-3-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: [(3S,4R)-3-benzyl-1-methyl-piperidin-1-ium-4-yl]ammonium CAS Name: [(3S,4R)-1-methyl-3-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: [(3S,4R)-3-benzyl-1-methylpiperidin-1-ium-4-yl]azanium Traditional Name: [(3S,4R)-3-benzyl-1-methyl-piperidin-1-ium-4-yl]ammonium Formula: C13H22N2+2 MolecularWeight: 206.32718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[NH+]1CC[C@H]([C@H](C1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H20N2/c1-15-8-7-13(14)12(10-15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3/p+2/t12-,13+/m0/s1