[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(3-pyridin-3-yloxypropyl)azanium

Systemtic Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-[3-(3-pyridyloxy)propyl]ammonium Formula: C28H35N4O2+ MolecularWeight: 459.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCCOC2=CN=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCCOC2=CN=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O2/c33-28(14-9-23-6-2-1-3-7-23)31-25-10-12-26(13-11-25)32-19-15-24(16-20-32)30-18-5-21-34-27-8-4-17-29-22-27/h1-4,6-8,10-13,17,22,24,30H,5,9,14-16,18-21H2,(H,31,33)/p+1