5-[(2S)-1-[1-(4-methoxyphenyl)piperidin-4-yl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[1-(4-methoxyphenyl)piperidin-4-yl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[1-(4-methoxyphenyl)-4-piperidyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[1-(4-methoxyphenyl)-4-piperidinyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[1-(4-methoxyphenyl)piperidin-4-yl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[1-(4-methoxyphenyl)-4-piperidyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCCC3C4=CC=C(S4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCC[C@H]3C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C21H27N3O2S/c1-26-17-6-4-15(5-7-17)23-13-10-16(11-14-23)24-12-2-3-18(24)19-8-9-20(27-19)21(22)25/h4-9,16,18H,2-3,10-14H2,1H3,(H2,22,25)/p+1/t18-/m0/s1