2-[2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]pyridin-1-ium-1-yl]ethylamine Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C=CC=CC2=CC=C(C=C2)[N+](=O)[O-])CCN

Isomeric SMILES

C1=CC=[N+](C(=C1)/C=C/C=C/C2=CC=C(C=C2)[N+](=O)[O-])CCN

InChI

InChI=1S/C17H18N3O2/c18-12-14-19-13-4-3-7-16(19)6-2-1-5-15-8-10-17(11-9-15)20(21)22/h1-11,13H,12,14,18H2/q+1/b5-1+,6-2+