(4-chlorophenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (4-chlorophenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (4-chlorophenyl)methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (4-chlorobenzyl)-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]ammonium Formula: C22H27ClN5+3 MolecularWeight: 396.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN5/c23-20-8-6-18(7-9-20)16-24-17-19-4-3-11-26-22(19)28-14-12-27(13-15-28)21-5-1-2-10-25-21/h1-11,24H,12-17H2/p+3