(4-phenethylpiperazin-4-ium-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H25N5O/c28-22(21-8-6-20(7-9-21)16-27-18-23-17-24-27)26-14-12-25(13-15-26)11-10-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2/p+1