2,3-dihydro-1H-inden-2-yl-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: indan-2-yl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: indan-2-yl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2/c32-28(20-33-27-8-2-1-3-9-27)30-23-10-12-26(13-11-23)31-16-14-24(15-17-31)29-25-18-21-6-4-5-7-22(21)19-25/h1-13,24-25,29H,14-20H2,(H,30,32)/p+1