[(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C20H24NO4S+ MolecularWeight: 374.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C20H23NO4S/c1-13-5-7-26-20(13)18(22)15-4-3-6-21(11-15)10-14-8-16(23-2)19-17(9-14)24-12-25-19/h5,7-9,15H,3-4,6,10-12H2,1-2H3/p+1/t15-/m0/s1