[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-(3-pyridylmethyl)ammonium CAS Name: [1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-(3-pyridylmethyl)ammonium Formula: C27H33N4O+ MolecularWeight: 429.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CN=CC=C2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CN=CC=C2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O/c32-27(13-4-9-22-7-2-1-3-8-22)30-25-11-5-12-26(19-25)31-17-14-24(15-18-31)29-21-23-10-6-16-28-20-23/h1-3,5-8,10-12,16,19-20,24,29H,4,9,13-15,17-18,21H2,(H,30,32)/p+1