4-bromanyl-N1-methyl-N1-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine

Systemtic Name: 4-bromanyl-N1-methyl-N1-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine Openeye Name: 4-bromo-N1-methyl-N1-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine CAS Name: 4-bromo-N1-methyl-N1-(1-methyl-4-piperidin-1-iumyl)benzene-1,2-diamine IUPAC Name: 4-bromo-1-N-methyl-1-N-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine Traditional Name: (2-amino-4-bromo-phenyl)-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C13H21BrN3+ MolecularWeight: 299.22994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=C(C=C(C=C2)Br)N

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C13H20BrN3/c1-16-7-5-11(6-8-16)17(2)13-4-3-10(14)9-12(13)15/h3-4,9,11H,5-8,15H2,1-2H3/p+1