1-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-amine

Systemtic Name: 1-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-amine Openeye Name: 1-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]tetrazol-5-amine CAS Name: 1-phenyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-tetrazolamine IUPAC Name: 1-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]tetrazol-5-amine Traditional Name: (1-phenyltetrazol-5-yl)-[2-(piperidin-1-ium-1-ylmethyl)benzyl]amine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H24N6/c1-3-11-19(12-4-1)26-20(22-23-24-26)21-15-17-9-5-6-10-18(17)16-25-13-7-2-8-14-25/h1,3-6,9-12H,2,7-8,13-16H2,(H,21,22,24)/p+1