4-(4-methoxyphenyl)-1-(4-piperazin-1-ylphenyl)-1-propyl-1,2,3,4-tetrazol-1-ium-5-one

Systemtic Name: 4-(4-methoxyphenyl)-1-(4-piperazin-1-ylphenyl)-1-propyl-1,2,3,4-tetrazol-1-ium-5-one Openeye Name: 4-(4-methoxyphenyl)-1-(4-piperazin-1-ylphenyl)-1-propyl-tetrazol-1-ium-5-one CAS Name: 4-(4-methoxyphenyl)-1-[4-(1-piperazinyl)phenyl]-1-propyl-5-tetrazol-1-iumone IUPAC Name: 4-(4-methoxyphenyl)-1-(4-piperazin-1-ylphenyl)-1-propyltetrazol-1-ium-5-one Traditional Name: 4-(4-methoxyphenyl)-1-(4-piperazinophenyl)-1-propyl-tetrazol-1-ium-5-one Formula: C21H27N6O2+ MolecularWeight: 395.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=O)N(N=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CCC[N+]1(C(=O)N(N=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C21H27N6O2/c1-3-16-27(19-8-4-17(5-9-19)25-14-12-22-13-15-25)21(28)26(23-24-27)18-6-10-20(29-2)11-7-18/h4-11,22H,3,12-16H2,1-2H3/q+1