2-azanyl-N-[(5-phenoxythiophen-2-yl)methyl]-6-[3-(1,2,3-triazol-1-ium-2-yl)propylamino]pyridine-3-carboxamide

Systemtic Name: 2-azanyl-N-[(5-phenoxythiophen-2-yl)methyl]-6-[3-(1,2,3-triazol-1-ium-2-yl)propylamino]pyridine-3-carboxamide Openeye Name: 2-amino-N-[(5-phenoxy-2-thienyl)methyl]-6-[3-(triazol-1-ium-2-yl)propylamino]pyridine-3-carboxamide CAS Name: 2-amino-N-[(5-phenoxy-2-thiophenyl)methyl]-6-[3-(2-triazol-1-iumyl)propylamino]-3-pyridinecarboxamide IUPAC Name: 2-amino-N-[(5-phenoxythiophen-2-yl)methyl]-6-[3-(triazol-1-ium-2-yl)propylamino]pyridine-3-carboxamide Traditional Name: 2-amino-N-[(5-phenoxy-2-thienyl)methyl]-6-[3-(triazol-1-ium-2-yl)propylamino]nicotinamide Formula: C22H24N7O2S+ MolecularWeight: 450.53666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(S2)CNC(=O)C3=C(N=C(C=C3)NCCCN4[NH+]=CC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(S2)CNC(=O)C3=C(N=C(C=C3)NCCCN4[NH+]=CC=N4)N

InChI

InChI=1S/C22H23N7O2S/c23-21-18(8-9-19(28-21)24-11-4-14-29-26-12-13-27-29)22(30)25-15-17-7-10-20(32-17)31-16-5-2-1-3-6-16/h1-3,5-10,12-13H,4,11,14-15H2,(H,25,30)(H3,23,24,28)/p+1