[2-chloranyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylazanium

Systemtic Name: [2-chloranyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylazanium Openeye Name: [2-chloro-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylammonium CAS Name: [2-chloro-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]phenyl]methylammonium IUPAC Name: [2-chloro-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylazanium Traditional Name: [2-chloro-6-(4-pyridin-1-ium-2-ylpiperazino)benzyl]ammonium Formula: C16H21ClN4+2 MolecularWeight: 304.81774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)Cl)C[NH3+])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)Cl)C[NH3+])C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H19ClN4/c17-14-4-3-5-15(13(14)12-18)20-8-10-21(11-9-20)16-6-1-2-7-19-16/h1-7H,8-12,18H2/p+2