1-pentan-3-yl-4-(pyridin-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-pentan-3-yl-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(1-ethylpropyl)-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-pentan-3-yl-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-pentan-3-yl-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-(4-pyridylmethyl)piperazine-1,4-diium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC=NC=C2

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC=NC=C2

InChI

InChI=1S/C15H25N3/c1-3-15(4-2)18-11-9-17(10-12-18)13-14-5-7-16-8-6-14/h5-8,15H,3-4,9-13H2,1-2H3/p+2