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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)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)20-9-11-24-12-10-20)19-7-5-18(6-8-19)17-29-22-4-2-1-3-21(22)25-26-29/h1-12H,13-17H2/p+1