1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-bromophenyl)methyleneamino]-5-(pyrrolidin-1-ium-1-ylmethyl)triazole-4-carboxamide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]-5-(1-pyrrolidin-1-iumylmethyl)-4-triazolecarboxamide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]-5-(pyrrolidin-1-ium-1-ylmethyl)triazole-4-carboxamide Traditional Name: 1-(4-aminofurazan-3-yl)-N-[(Z)-(2-bromobenzylidene)amino]-5-(pyrrolidin-1-ium-1-ylmethyl)triazole-4-carboxamide Formula: C17H19BrN9O2+ MolecularWeight: 461.29586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4Br

Isomeric SMILES

C1CC[NH+](C1)CC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C\C4=CC=CC=C4Br

InChI

InChI=1S/C17H18BrN9O2/c18-12-6-2-1-5-11(12)9-20-22-17(28)14-13(10-26-7-3-4-8-26)27(25-21-14)16-15(19)23-29-24-16/h1-2,5-6,9H,3-4,7-8,10H2,(H2,19,23)(H,22,28)/p+1/b20-9-