N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 2-(3,4-diethoxyphenyl)ethyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C17H22N3O4+ MolecularWeight: 332.37428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H21N3O4/c1-3-23-15-8-7-13(12-16(15)24-4-2)9-11-19-17-14(20(21)22)6-5-10-18-17/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,18,19)/p+1