N-[(1S)-1-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(1S)-1-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide CAS Name: N-[(1S)-1-[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: N-[(1S)-1-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide Traditional Name: N-[(1S)-1-[1-(3,5-dimethoxybenzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide Formula: C28H35N2O3S+ MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC(=CC(=C3)OC)OC)C(=O)C4=CC=CS4

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC(=CC(=C3)OC)OC)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H34N2O3S/c1-29(28(31)27-10-7-15-34-27)26(18-21-8-5-4-6-9-21)23-11-13-30(14-12-23)20-22-16-24(32-2)19-25(17-22)33-3/h4-10,15-17,19,23,26H,11-14,18,20H2,1-3H3/p+1/t26-/m0/s1