1-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-(2-pyridin-1-iumylmethyl)-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(pyridin-1-ium-2-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=CC=[NH+]3

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H27N3/c1-2-6-12-20(11-5-1)17-8-13-19(14-9-17)15-16-7-3-4-10-18-16/h3-4,7,10,17H,1-2,5-6,8-9,11-15H2/p+3