cyclooctyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: cyclooctyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-cyclooctyl-ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-cyclooctylammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-cyclooctylazanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-cyclooctyl-ammonium Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]C3CCCCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]C3CCCCCCC3

InChI

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