N-(2-cyanoethyl)-N-phenyl-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(1-phenyl-5-tetrazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H25N8O+ MolecularWeight: 417.4869

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H24N8O/c23-12-7-13-29(19-8-3-1-4-9-19)21(31)18-27-14-16-28(17-15-27)22-24-25-26-30(22)20-10-5-2-6-11-20/h1-6,8-11H,7,13-18H2/p+1