1-[3-chloranyl-2-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[3-chloranyl-2-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[3-chloro-2-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[3-chloro-2-(chloromethyl)phenyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[3-chloro-2-(chloromethyl)phenyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[3-chloro-2-(chloromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C16H18Cl2N3+ MolecularWeight: 323.24022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2N3/c17-12-13-14(18)4-3-5-15(13)20-8-10-21(11-9-20)16-6-1-2-7-19-16/h1-7H,8-12H2/p+1