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

Systemtic Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-phenyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-phenyl-tetrazol-5-amine CAS Name: N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-phenyl-5-tetrazolamine IUPAC Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine Traditional Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-(1-phenyltetrazol-5-yl)amine Formula: C19H25N6S+ MolecularWeight: 369.507

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC2=NN=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC2=NN=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H24N6S/c1-15-9-11-24(12-10-15)17(18-8-5-13-26-18)14-20-19-21-22-23-25(19)16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,20,21,23)/p+1/t17-/m0/s1