(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]amine Formula: C21H27N2O2S+ MolecularWeight: 371.51628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O2S/c1-26-19-7-4-16(5-8-19)14-23-10-2-3-18(15-23)22-17-6-9-20-21(13-17)25-12-11-24-20/h4-9,13,18,22H,2-3,10-12,14-15H2,1H3/p+1/t18-/m0/s1