[azanyl-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridin-1-ium-4-yl]methylidene]azanium

Systemtic Name: [azanyl-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridin-1-ium-4-yl]methylidene]azanium Openeye Name: [amino-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]pyridin-1-ium-4-yl]methylene]ammonium CAS Name: [amino-[2-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-4-pyridin-1-iumyl]methylidene]ammonium IUPAC Name: [amino-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridin-1-ium-4-yl]methylidene]azanium Traditional Name: [amino-[2-[(3S,5R)-3,5-dimethylpiperidino]pyridin-1-ium-4-yl]methylene]ammonium Formula: C13H22N4+2 MolecularWeight: 234.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=[NH+]C=CC(=C2)C(=[NH2+])N)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C2=[NH+]C=CC(=C2)C(=[NH2+])N)C

InChI

InChI=1S/C13H20N4/c1-9-5-10(2)8-17(7-9)12-6-11(13(14)15)3-4-16-12/h3-4,6,9-10H,5,7-8H2,1-2H3,(H3,14,15)/p+2/t9-,10+