6-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]quinoline

Systemtic Name: 6-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]quinoline Openeye Name: 6-[(S)-(1-phenethyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]quinoline CAS Name: 6-[(S)-(1-phenethyl-5-tetrazolyl)-(1-pyrrolidin-1-iumyl)methyl]quinoline IUPAC Name: 6-[(S)-(1-phenethyltetrazol-5-yl)-pyrrolidin-1-ium-1-ylmethyl]quinoline Traditional Name: 6-[(S)-(1-phenethyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]quinoline Formula: C23H25N6+ MolecularWeight: 385.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C23H24N6/c1-2-7-18(8-3-1)12-16-29-23(25-26-27-29)22(28-14-4-5-15-28)20-10-11-21-19(17-20)9-6-13-24-21/h1-3,6-11,13,17,22H,4-5,12,14-16H2/p+1/t22-/m0/s1