1-(phenylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-benzyl-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-benzyl-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C16H21N3+2 MolecularWeight: 255.35804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H19N3/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16/h1-9H,10-14H2/p+2