(4-ethoxycarbonyl-1-pyridin-1-ium-4-yl-piperidin-4-yl)azanium

Systemtic Name: (4-ethoxycarbonyl-1-pyridin-1-ium-4-yl-piperidin-4-yl)azanium Openeye Name: (4-ethoxycarbonyl-1-pyridin-1-ium-4-yl-4-piperidyl)ammonium CAS Name: [4-ethoxycarbonyl-1-(4-pyridin-1-iumyl)-4-piperidinyl]ammonium IUPAC Name: (4-ethoxycarbonyl-1-pyridin-1-ium-4-ylpiperidin-4-yl)azanium Traditional Name: (4-carbethoxy-1-pyridin-1-ium-4-yl-4-piperidyl)ammonium Formula: C13H21N3O2+2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=[NH+]C=C2)[NH3+]

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=[NH+]C=C2)[NH3+]

InChI

InChI=1S/C13H19N3O2/c1-2-18-12(17)13(14)5-9-16(10-6-13)11-3-7-15-8-4-11/h3-4,7-8H,2,5-6,9-10,14H2,1H3/p+2