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2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]azanium

2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]azanium

Systemtic Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]azanium
Openeye Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]ammonium
CAS Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]ammonium
IUPAC Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]azanium
Traditional Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]ammonium
Formula: C18H22NO3S+
MolecularWeight: 332.43718
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)C1=CC=CC=C1)CC2=CC3=C(C=C2)OCCO3


Isomeric SMILES

C[NH+](CC[S@](=O)C1=CC=CC=C1)CC2=CC3=C(C=C2)OCCO3


InChI

InChI=1S/C18H21NO3S/c1-19(9-12-23(20)16-5-3-2-4-6-16)14-15-7-8-17-18(13-15)22-11-10-21-17/h2-8,13H,9-12,14H2,1H3/p+1/t23-/m0/s1


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