N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)C[NH+]3CCCCC3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H32N4O/c25-19(17-23-12-5-4-6-13-23)22-16-18-10-9-11-21-20(18)24-14-7-2-1-3-8-15-24/h9-11H,1-8,12-17H2,(H,22,25)/p+2