(7-methoxy-1,3-benzodioxol-5-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C18H24NO4S+ MolecularWeight: 350.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CC2=CC3=C(C(=C2)OC)OCO3)CC(C)O

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CC2=CC3=C(C(=C2)OC)OCO3)C[C@H](C)O

InChI

InChI=1S/C18H23NO4S/c1-12-4-5-24-17(12)10-19(8-13(2)20)9-14-6-15(21-3)18-16(7-14)22-11-23-18/h4-7,13,20H,8-11H2,1-3H3/p+1/t13-/m0/s1