[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(furan-3-ylmethyl)azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(furan-3-ylmethyl)azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(3-furylmethyl)ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-(3-furanylmethyl)ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(furan-3-ylmethyl)azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(3-furfuryl)ammonium Formula: C18H27N3O+2 MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=COC=C3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=COC=C3

InChI

InChI=1S/C18H25N3O/c1-2-4-10-21(11-5-3-1)18-17(7-6-9-20-18)14-19-13-16-8-12-22-15-16/h6-9,12,15,19H,1-5,10-11,13-14H2/p+2