N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-N-methyl-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H32N2O3S/c1-17-10-14-29-22(17)16-25-12-8-19(9-13-25)23(26)24(2)11-7-18-5-6-20(27-3)21(15-18)28-4/h5-6,10,14-15,19H,7-9,11-13,16H2,1-4H3/p+1