1-cycloheptyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-cycloheptyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-cycloheptyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-cycloheptyl-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-cycloheptyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-cycloheptyl-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:

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

InChI=1S/C17H27N3/c1-2-4-6-17(5-3-1)20-13-11-19(12-14-20)15-16-7-9-18-10-8-16/h7-10,17H,1-6,11-15H2/p+3