5-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1-phenethyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1-phenethyl-1,2,3,4-tetrazole Openeye Name: 5-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1-phenethyl-tetrazole CAS Name: 5-[(S)-(4-chlorophenyl)-(1-pyrrolidin-1-iumyl)methyl]-1-phenethyltetrazole IUPAC Name: 5-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-ylmethyl]-1-phenethyltetrazole Traditional Name: 5-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1-phenethyl-tetrazole Formula: C20H23ClN5+ MolecularWeight: 368.88312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC=C(C=C2)Cl)C3=NN=NN3CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C2=CC=C(C=C2)Cl)C3=NN=NN3CCC4=CC=CC=C4

InChI

InChI=1S/C20H22ClN5/c21-18-10-8-17(9-11-18)19(25-13-4-5-14-25)20-22-23-24-26(20)15-12-16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15H2/p+1/t19-/m0/s1