carboxy-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-naphthalen-1-ylethyl)-(2-phenylsulfanylethyl)azanium

Systemtic Name: carboxy-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-naphthalen-1-ylethyl)-(2-phenylsulfanylethyl)azanium Openeye Name: carboxy-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[2-(1-naphthyl)ethyl]-(2-phenylsulfanylethyl)ammonium CAS Name: carboxy-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[2-(1-naphthalenyl)ethyl]-[2-(phenylthio)ethyl]ammonium IUPAC Name: carboxy-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-naphthalen-1-ylethyl)-(2-phenylsulfanylethyl)azanium Traditional Name: carboxy-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[2-(1-naphthyl)ethyl]-[2-(phenylthio)ethyl]ammonium Formula: C29H28NO4S+ MolecularWeight: 486.60192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)[N+](CCC3=CC=CC4=CC=CC=C43)(CCSC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)[N+](CCC3=CC=CC4=CC=CC=C43)(CCSC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H27NO4S/c31-29(32)30(19-20-35-24-12-2-1-3-13-24,28-21-33-26-15-6-7-16-27(26)34-28)18-17-23-11-8-10-22-9-4-5-14-25(22)23/h1-16,28H,17-21H2/p+1/t28-,30?/m1/s1