2-chloranyl-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline

Systemtic Name: 2-chloranyl-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline Openeye Name: 2-chloro-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline CAS Name: 2-chloro-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]aniline IUPAC Name: 2-chloro-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline Traditional Name: [2-chloro-5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenyl]amine Formula: C16H20ClN4+ MolecularWeight: 303.8098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)Cl)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)Cl)N)C3=CC=CC=[NH+]3

InChI

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