N-[2-[(2-chlorophenyl)methoxy]ethyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-[(2-chlorophenyl)methoxy]ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-[(2-chlorophenyl)methoxy]ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-[(2-chlorophenyl)methoxy]ethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-[(2-chlorophenyl)methoxy]ethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: 2-(2-chlorobenzyl)oxyethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C14H15ClN3O3+ MolecularWeight: 308.7402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)COCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN3O3/c15-13-4-2-1-3-11(13)10-21-8-7-16-14-6-5-12(9-17-14)18(19)20/h1-6,9H,7-8,10H2,(H,16,17)/p+1