azepan-1-yl-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[1-(3-pyridin-1-iumylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=C[NH+]=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C18H27N3O/c22-18(21-11-3-1-2-4-12-21)17-8-6-10-20(15-17)14-16-7-5-9-19-13-16/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2/p+2