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

Systemtic Name: [1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c29-25(19-30-23-5-2-1-3-6-23)27-21-8-10-22(11-9-21)28-16-13-20(14-17-28)26-15-12-24-7-4-18-31-24/h1-11,18,20,26H,12-17,19H2,(H,27,29)/p+1