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

Systemtic Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium Formula: C26H32N3OS+ MolecularWeight: 434.61678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3OS/c30-26(13-8-21-5-2-1-3-6-21)28-23-9-11-24(12-10-23)29-18-15-22(16-19-29)27-17-14-25-7-4-20-31-25/h1-7,9-12,20,22,27H,8,13-19H2,(H,28,30)/p+1