3-chloranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)aniline

Systemtic Name: 3-chloranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)aniline Openeye Name: 3-chloro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)aniline CAS Name: 3-chloro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]aniline IUPAC Name: 3-chloro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)aniline Traditional Name: [3-chloro-4-(4-pyridin-1-ium-2-ylpiperazino)phenyl]amine Formula: C15H18ClN4+ MolecularWeight: 289.78322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4/c16-13-11-12(17)4-5-14(13)19-7-9-20(10-8-19)15-3-1-2-6-18-15/h1-6,11H,7-10,17H2/p+1