[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-(3-pyrazol-1-ylbenzyl)ammonium Formula: C30H34N5O+ MolecularWeight: 480.62386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C30H33N5O/c36-30(15-10-24-6-2-1-3-7-24)33-27-11-13-28(14-12-27)34-20-16-26(17-21-34)31-23-25-8-4-9-29(22-25)35-19-5-18-32-35/h1-9,11-14,18-19,22,26,31H,10,15-17,20-21,23H2,(H,33,36)/p+1