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

Systemtic Name: N-[(1S)-1-[1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide CAS Name: N-[(1S)-1-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: N-[(1S)-1-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide Traditional Name: N-[(1S)-1-[1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide Formula: C28H35N2O4S+ MolecularWeight: 495.6535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4S/c1-29(28(32)26-10-7-15-35-26)23(16-20-8-5-4-6-9-20)22-11-13-30(14-12-22)19-21-17-24(33-2)27(31)25(18-21)34-3/h4-10,15,17-18,22-23,31H,11-14,16,19H2,1-3H3/p+1/t23-/m0/s1