[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium

Systemtic Name: [1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-(3-thienyl)ethyl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]-[(2R)-1-(3-thiophenyl)propan-2-yl]ammonium IUPAC Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Traditional Name: [(1R)-1-methyl-2-(3-thienyl)ethyl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CSC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C[C@H](CC1=CSC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-20(17-21-13-16-32-19-21)27-23-11-14-29(15-12-23)24-9-7-22(8-10-24)28-26(30)18-31-25-5-3-2-4-6-25/h2-10,13,16,19-20,23,27H,11-12,14-15,17-18H2,1H3,(H,28,30)/p+1/t20-/m1/s1