1-(phenylmethyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(phenylmethyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-(phenylmethyl)-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-benzyl-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Formula: C17H24N3+3 MolecularWeight: 270.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=[NH+]3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC=[NH+]3

InChI

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