1-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide; 1-(2-bromoethyl)-2H-pyridine-2-carboxamide

Systemtic Name: 1-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide; 1-(2-bromoethyl)-2H-pyridine-2-carboxamide Openeye Name: 1-(2-bromoethyl)-2H-pyridine-2-carboxamide; 1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-(2-bromoethyl)-2H-pyridine-2-carboxamide; 1-[2-(3-carbamoyl-1-pyridin-1-iumyl)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-(2-bromoethyl)-2H-pyridine-2-carboxamide; 1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(2-bromoethyl)-2H-pyridine-2-carboxamide; 1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide Formula: C22H27BrN6O3+2 MolecularWeight: 503.39218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2.C8H11BrN2O/c15-13(19)11-3-1-5-17(9-11)7-8-18-6-2-4-12(10-18)14(16)20;9-4-6-11-5-2-1-3-7(11)8(10)12/h1-6,9-10H,7-8H2,(H2-2,15,16,19,20);1-3,5,7H,4,6H2,(H2,10,12)/p+2