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

Systemtic Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-(3-methylcyclohexyl)-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-methylcyclohexyl)-4-(pyridin-1-ium-4-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=CC=[NH+]C=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3/c1-15-3-2-4-17(13-15)20-11-9-19(10-12-20)14-16-5-7-18-8-6-16/h5-8,15,17H,2-4,9-14H2,1H3/p+3