[(2R)-3-benzo[g][1]benzothiol-5-yloxy-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2R)-3-benzo[g][1]benzothiol-5-yloxy-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: [(2R)-3-benzo[g]benzothiophen-5-yloxy-2-hydroxy-propyl]-benzyl-ammonium CAS Name: [(2R)-3-(5-benzo[g][1]benzothiolyloxy)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: [(2R)-3-benzo[g][1]benzothiol-5-yloxy-2-hydroxypropyl]-benzylazanium Traditional Name: [(2R)-3-benzo[g]benzothiophen-5-yloxy-2-hydroxy-propyl]-benzyl-ammonium Formula: C22H22NO2S+ MolecularWeight: 364.48058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC(COC2=CC3=C(C4=CC=CC=C42)SC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C[C@H](COC2=CC3=C(C4=CC=CC=C42)SC=C3)O

InChI

InChI=1S/C22H21NO2S/c24-18(14-23-13-16-6-2-1-3-7-16)15-25-21-12-17-10-11-26-22(17)20-9-5-4-8-19(20)21/h1-12,18,23-24H,13-15H2/p+1/t18-/m1/s1