1-[4-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[4-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[4-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[4-(chloromethyl)phenyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[4-(chloromethyl)phenyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[4-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C16H19ClN3+ MolecularWeight: 288.79516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CCl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CCl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H18ClN3/c17-13-14-4-6-15(7-5-14)19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2/p+1