(4-phenethylpiperazin-4-ium-1-yl)-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-[3-(1-tetrazolyl)phenyl]methanone IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone Formula: C20H23N6O+ MolecularWeight: 363.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C20H22N6O/c27-20(18-7-4-8-19(15-18)26-16-21-22-23-26)25-13-11-24(12-14-25)10-9-17-5-2-1-3-6-17/h1-8,15-16H,9-14H2/p+1