[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: [1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O/c33-27(10-5-4-9-23-7-2-1-3-8-23)30-25-11-13-26(14-12-25)31-20-15-24(16-21-31)28-18-22-32-19-6-17-29-32/h1-3,6-8,11-14,17,19,24,28H,4-5,9-10,15-16,18,20-22H2,(H,30,33)/p+1