[1-(3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-pyridin-1-ium-2-yl)piperidin-4-yl]-[(1S,2S)-2-oxidanylcyclohexyl]azanium

Systemtic Name: [1-(3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-pyridin-1-ium-2-yl)piperidin-4-yl]-[(1S,2S)-2-oxidanylcyclohexyl]azanium Openeye Name: [1-(3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-pyridin-1-ium-2-yl)-4-piperidyl]-[(1S,2S)-2-hydroxycyclohexyl]ammonium CAS Name: [1-(3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-pyridin-1-iumyl)-4-piperidinyl]-[(1S,2S)-2-hydroxycyclohexyl]ammonium IUPAC Name: [1-(3-ethoxycarbonyl-5-methoxycarbonyl-6-methylpyridin-1-ium-2-yl)piperidin-4-yl]-[(1S,2S)-2-hydroxycyclohexyl]azanium Traditional Name: [1-(3-carbethoxy-5-carbomethoxy-6-methyl-pyridin-1-ium-2-yl)-4-piperidyl]-[(1S,2S)-2-hydroxycyclohexyl]ammonium Formula: C22H35N3O5+2 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C(=O)OC)C)N2CCC(CC2)[NH2+]C3CCCCC3O

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C(=O)OC)C)N2CCC(CC2)[NH2+][C@H]3CCCC[C@@H]3O

InChI

InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3/p+2/t18-,19-/m0/s1