1-methyl-4-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-methyl-4-[1-(2-pyridin-1-iumylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[1-(pyridin-1-ium-2-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C16H30N4+4 MolecularWeight: 278.4362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H26N4/c1-18-10-12-20(13-11-18)16-5-8-19(9-6-16)14-15-4-2-3-7-17-15/h2-4,7,16H,5-6,8-14H2,1H3/p+4