1-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-(4-pyridin-1-iumylmethyl)-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C17H30N3+3 MolecularWeight: 276.4402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

InChI=1S/C17H27N3/c1-2-4-12-20(11-3-1)17-7-13-19(14-8-17)15-16-5-9-18-10-6-16/h5-6,9-10,17H,1-4,7-8,11-15H2/p+3