N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H19N3O4/c1-4-23-14-8-7-12(10-15(14)22-3)11-18(2)16-13(19(20)21)6-5-9-17-16/h5-10H,4,11H2,1-3H3/p+1