3-chloranyl-4-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-chloranyl-4-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 3-chloro-4-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]aniline CAS Name: 3-chloro-4-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 3-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]aniline Traditional Name: [3-chloro-4-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C16H20ClN4+ MolecularWeight: 303.8098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=C(C=C(C=C3)N)Cl

InChI

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