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

Systemtic Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyridin-3-ylethyl)azanium Openeye Name: [1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]-[2-(3-pyridyl)ethyl]ammonium CAS Name: [1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-[2-(3-pyridinyl)ethyl]ammonium IUPAC Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyridin-3-ylethyl)azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-[2-(3-pyridyl)ethyl]ammonium Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=CN=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=CN=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

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