N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 2-(2-methoxy-5-methyl-phenyl)ethyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-11-5-6-14(21-2)12(10-11)7-9-17-15-13(18(19)20)4-3-8-16-15/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)/p+1