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

Systemtic Name: 3-chloranyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 3-chloro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]aniline CAS Name: 3-chloro-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 3-chloro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]aniline Traditional Name: [3-chloro-4-[4-(3-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=CN=CC=C2)C3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)N)Cl

InChI

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