2-(benzotriazol-1-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium

Systemtic Name: 2-(benzotriazol-1-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Openeye Name: 2-(benzotriazol-1-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)-4-piperidyl]ammonium CAS Name: 2-(1-benzotriazolyl)ethyl-[1-[3-(1-pyrazolyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(benzotriazol-1-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Traditional Name: 2-(benzotriazol-1-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)-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=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1CN(CCC1[NH2+]CCN2C3=CC=CC=C3N=N2)C4=CC=CC(=C4)N5C=CC=N5

InChI

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