[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]-(2-pyridin-3-ylethyl)azanium

Systemtic Name: [1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]-(2-pyridin-3-ylethyl)azanium Openeye Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-[2-(3-pyridyl)ethyl]ammonium CAS Name: [1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]-[2-(3-pyridinyl)ethyl]ammonium IUPAC Name: [1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]-(2-pyridin-3-ylethyl)azanium Traditional Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-[2-(3-pyridyl)ethyl]ammonium Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=CN=CC=C2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=CN=CC=C2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c33-28(13-4-9-23-7-2-1-3-8-23)31-26-11-5-12-27(21-26)32-19-15-25(16-20-32)30-18-14-24-10-6-17-29-22-24/h1-3,5-8,10-12,17,21-22,25,30H,4,9,13-16,18-20H2,(H,31,33)/p+1