1-(phenylmethyl)-4-(pyridin-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(phenylmethyl)-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-(phenylmethyl)-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-benzyl-4-(4-pyridylmethyl)piperazine-1,4-diium Formula: C17H23N3+2 MolecularWeight: 269.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C17H21N3/c1-2-4-16(5-3-1)14-19-10-12-20(13-11-19)15-17-6-8-18-9-7-17/h1-9H,10-15H2/p+2