1-(3-methylcyclohexyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-(3-methylcyclohexyl)-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C17H30N3+3 MolecularWeight: 276.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3

Isomeric SMILES

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C17H27N3/c1-15-4-2-6-17(12-15)20-10-8-19(9-11-20)14-16-5-3-7-18-13-16/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3/p+3