[(2R,3S)-3-methyl-1-(4-methylpiperidin-1-ium-1-yl)pentan-2-yl]azanium

Systemtic Name: [(2R,3S)-3-methyl-1-(4-methylpiperidin-1-ium-1-yl)pentan-2-yl]azanium Openeye Name: [(1R,2S)-2-methyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]butyl]ammonium CAS Name: [(2R,3S)-3-methyl-1-(4-methyl-1-piperidin-1-iumyl)pentan-2-yl]ammonium IUPAC Name: [(2R,3S)-3-methyl-1-(4-methylpiperidin-1-ium-1-yl)pentan-2-yl]azanium Traditional Name: [(1R,2S)-2-methyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]butyl]ammonium Formula: C12H28N2+2 MolecularWeight: 200.36412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C[NH+]1CCC(CC1)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@H](C[NH+]1CCC(CC1)C)[NH3+]

InChI

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