1-[(E)-4-(3-aminocarbonylpyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(E)-4-(3-aminocarbonylpyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(E)-4-(3-carbamoylpyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(E)-4-(3-carbamoyl-1-pyridin-1-iumyl)but-2-enyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(E)-4-(3-carbamoylpyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(E)-4-(3-carbamoylpyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-3-carboxamide Formula: C16H18N4O2+2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC=CC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)C/C=C/C[N+]2=CC=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C16H16N4O2/c17-15(21)13-5-3-9-19(11-13)7-1-2-8-20-10-4-6-14(12-20)16(18)22/h1-6,9-12H,7-8H2,(H2-2,17,18,21,22)/p+2/b2-1+