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

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-[(3-methyl-1-propyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(3-methyl-1-propylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]ammonium Formula: C21H35N5+2 MolecularWeight: 357.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C21H33N5/c1-3-12-26-17-20(18(2)24-26)16-22-15-19-10-9-11-23-21(19)25-13-7-5-4-6-8-14-25/h9-11,17,22H,3-8,12-16H2,1-2H3/p+2