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

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(1-ethanoylpiperidin-4-yl)azanium Openeye Name: (1-acetyl-4-piperidyl)-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (1-acetyl-4-piperidinyl)-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (1-acetylpiperidin-4-yl)-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (1-acetyl-4-piperidyl)-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]ammonium Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H32N4O/c1-17(25)23-14-9-19(10-15-23)22-16-18-8-7-11-21-20(18)24-12-5-3-2-4-6-13-24/h7-8,11,19,22H,2-6,9-10,12-16H2,1H3/p+2