2-(benzotriazol-1-yl)ethyl-[1-[4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(benzotriazol-1-yl)ethyl-[1-[4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(benzotriazol-1-yl)ethyl-[1-[4-(1H-pyrazol-5-yl)phenyl]-4-piperidyl]ammonium CAS Name: 2-(1-benzotriazolyl)ethyl-[1-[4-(1H-pyrazol-5-yl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(benzotriazol-1-yl)ethyl-[1-[4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]azanium Traditional Name: 2-(benzotriazol-1-yl)ethyl-[1-[4-(1H-pyrazol-5-yl)phenyl]-4-piperidyl]ammonium Formula: C22H26N7+ MolecularWeight: 388.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

C1CN(CCC1[NH2+]CCN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C22H25N7/c1-2-4-22-21(3-1)26-27-29(22)16-13-23-18-10-14-28(15-11-18)19-7-5-17(6-8-19)20-9-12-24-25-20/h1-9,12,18,23H,10-11,13-16H2,(H,24,25)/p+1