N-[(1S)-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(1S)-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide CAS Name: N-[(1S)-1-[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: N-[(1S)-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide Traditional Name: N-methyl-N-[(1S)-1-(1-o-anisylpiperidin-1-ium-4-yl)-2-phenyl-ethyl]thiophene-2-carboxamide Formula: C27H33N2O2S+ MolecularWeight: 449.62812

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=CC=C3OC)C(=O)C4=CC=CS4

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=CC=C3OC)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H32N2O2S/c1-28(27(30)26-13-8-18-32-26)24(19-21-9-4-3-5-10-21)22-14-16-29(17-15-22)20-23-11-6-7-12-25(23)31-2/h3-13,18,22,24H,14-17,19-20H2,1-2H3/p+1/t24-/m0/s1