[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(3-morpholinosulfonylphenyl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[[3-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-(3-morpholinosulfonylbenzyl)ammonium Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N2O5S/c1-22(15-18-16-27-20-7-2-3-8-21(20)28-18)14-17-5-4-6-19(13-17)29(24,25)23-9-11-26-12-10-23/h2-8,13,18H,9-12,14-16H2,1H3/p+1/t18-/m0/s1