[(3S)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]azanium

Systemtic Name: [(3S)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]azanium Openeye Name: [(3S)-1-(p-tolylmethyl)piperidin-1-ium-3-yl]ammonium CAS Name: [(3S)-1-[(4-methylphenyl)methyl]-3-piperidin-1-iumyl]ammonium IUPAC Name: [(3S)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]azanium Traditional Name: [(3S)-1-(4-methylbenzyl)piperidin-1-ium-3-yl]ammonium Formula: C13H22N2+2 MolecularWeight: 206.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCC(C2)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)[NH3+]

InChI

InChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)9-15-8-2-3-13(14)10-15/h4-7,13H,2-3,8-10,14H2,1H3/p+2/t13-/m0/s1