N-[[(3R)-1-[(2-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[[2-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(2-cyclopentyloxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(2-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[2-(cyclopentoxy)benzyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC=C2C[NH+]3CCCC(C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC=C2C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N2O2S/c26-23(22-12-6-14-28-22)24-15-18-7-5-13-25(16-18)17-19-8-1-4-11-21(19)27-20-9-2-3-10-20/h1,4,6,8,11-12,14,18,20H,2-3,5,7,9-10,13,15-17H2,(H,24,26)/p+1/t18-/m1/s1