N-[(1R)-1-(4-methoxyphenyl)propyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(4-methoxyphenyl)propyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(4-methoxyphenyl)propyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(4-methoxyphenyl)propyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(4-methoxyphenyl)propyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(1R)-1-(4-methoxyphenyl)propyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)OC)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-3-13(11-6-8-12(21-2)9-7-11)17-15-14(18(19)20)5-4-10-16-15/h4-10,13H,3H2,1-2H3,(H,16,17)/p+1/t13-/m1/s1