N-[(3-azanyl-4-chloranyl-phenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(3-azanyl-4-chloranyl-phenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(3-amino-4-chloro-phenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(3-amino-4-chlorophenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(3-amino-4-chlorophenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (3-amino-4-chloro-benzyl)-pyridin-1-ium-2-yl-amine Formula: C12H13ClN3+ MolecularWeight: 234.70472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C12H12ClN3/c13-10-5-4-9(7-11(10)14)8-16-12-3-1-2-6-15-12/h1-7H,8,14H2,(H,15,16)/p+1