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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H30N2O3S/c1-16-9-13-28-21(16)15-24-11-7-18(8-12-24)22(25)23-10-6-17-4-5-19(26-2)20(14-17)27-3/h4-5,9,13-14,18H,6-8,10-12,15H2,1-3H3,(H,23,25)/p+1