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

Systemtic Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C20H26NO3S+ MolecularWeight: 360.49034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-14-8-10-25-20(14)19(22)15-5-4-9-21(12-15)13-16-11-17(23-2)6-7-18(16)24-3/h6-8,10-11,15H,4-5,9,12-13H2,1-3H3/p+1/t15-/m0/s1