1-propan-2-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-propan-2-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-isopropyl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-propan-2-yl-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-propan-2-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-isopropyl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C13H24N3+3 MolecularWeight: 222.34976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3/c1-12(2)16-8-6-15(7-9-16)11-13-4-3-5-14-10-13/h3-5,10,12H,6-9,11H2,1-2H3/p+3