1-phenyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2,3,4-tetrazol-5-amine

Systemtic Name: 1-phenyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2,3,4-tetrazol-5-amine Openeye Name: 1-phenyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]tetrazol-5-amine CAS Name: 1-phenyl-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-5-tetrazolamine IUPAC Name: 1-phenyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]tetrazol-5-amine Traditional Name: (1-phenyltetrazol-5-yl)-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amine Formula: C17H21N6S+ MolecularWeight: 341.45384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=NN=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC2=NN=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C17H20N6S/c1-2-7-14(8-3-1)23-17(19-20-21-23)18-13-15(16-9-6-12-24-16)22-10-4-5-11-22/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,18,19,21)/p+1/t15-/m1/s1