[4-(benzotriazol-1-ylmethyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H23N6O+ MolecularWeight: 399.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H22N6O/c30-23(28-15-13-27(14-16-28)22-7-3-4-12-24-22)19-10-8-18(9-11-19)17-29-21-6-2-1-5-20(21)25-26-29/h1-12H,13-17H2/p+1