[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]ammonium Formula: C20H31N5O2+2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H29N5O2/c1-2-27-20(26)18-17(15-23-24-18)14-21-13-16-9-8-10-22-19(16)25-11-6-4-3-5-7-12-25/h8-10,15,21H,2-7,11-14H2,1H3,(H,23,24)/p+2