2-chloranyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline

Systemtic Name: 2-chloranyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Openeye Name: 2-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline CAS Name: 2-chloro-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Traditional Name: 2-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Formula: C19H21ClN4+2 MolecularWeight: 340.84984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19ClN4/c20-19-16(13-15-5-1-2-6-17(15)22-19)14-23-9-11-24(12-10-23)18-7-3-4-8-21-18/h1-8,13H,9-12,14H2/p+2