[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: [1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: [1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O/c31-25(12-7-21-5-2-1-3-6-21)28-23-8-10-24(11-9-23)29-18-13-22(14-19-29)26-16-20-30-17-4-15-27-30/h1-6,8-11,15,17,22,26H,7,12-14,16,18-20H2,(H,28,31)/p+1