N-[(4-tert-butylphenyl)methyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(4-tert-butylphenyl)methyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[(4-tert-butylphenyl)methyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(4-tert-butylphenyl)methyl]-5-nitropyridin-1-ium-2-amine Traditional Name: (4-tert-butylbenzyl)-(5-nitropyridin-1-ium-2-yl)amine Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O2/c1-16(2,3)13-6-4-12(5-7-13)10-17-15-9-8-14(11-18-15)19(20)21/h4-9,11H,10H2,1-3H3,(H,17,18)/p+1