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

Systemtic Name: 1-butan-2-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(pyridin-1-ium-3-ylmethyl)-4-sec-butyl-piperazine-1,4-diium CAS Name: 1-butan-2-yl-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-butan-2-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(pyridin-1-ium-3-ylmethyl)-4-sec-butyl-piperazine-1,4-diium Formula: C14H26N3+3 MolecularWeight: 236.37634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3/c1-3-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15-11-14/h4-6,11,13H,3,7-10,12H2,1-2H3/p+3