[azanyl-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-4-yl]methylidene]azanium

Systemtic Name: [azanyl-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-4-yl]methylidene]azanium Openeye Name: [amino-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]pyridin-1-ium-4-yl]methylene]ammonium CAS Name: [amino-[2-[(2S,6R)-2,6-dimethyl-1-piperidinyl]-4-pyridin-1-iumyl]methylidene]ammonium IUPAC Name: [amino-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-4-yl]methylidene]azanium Traditional Name: [amino-[2-[(2S,6R)-2,6-dimethylpiperidino]pyridin-1-ium-4-yl]methylene]ammonium Formula: C13H22N4+2 MolecularWeight: 234.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=[NH+]C=CC(=C2)C(=[NH2+])N)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C2=[NH+]C=CC(=C2)C(=[NH2+])N)C

InChI

InChI=1S/C13H20N4/c1-9-4-3-5-10(2)17(9)12-8-11(13(14)15)6-7-16-12/h6-10H,3-5H2,1-2H3,(H3,14,15)/p+2/t9-,10+