N-methyl-N-[(1R)-2-phenyl-1-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-methyl-N-[(1R)-2-phenyl-1-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-methyl-N-[(1R)-2-phenyl-1-[1-(5-quinolylmethyl)piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide CAS Name: N-methyl-N-[(1R)-2-phenyl-1-[1-(5-quinolinylmethyl)-4-piperidin-1-iumyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-methyl-N-[(1R)-2-phenyl-1-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-methyl-N-[(1R)-2-phenyl-1-[1-(5-quinolylmethyl)piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide Formula: C29H32N3OS+ MolecularWeight: 470.64888

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C4C=CC=NC4=CC=C3)C(=O)C5=CC=CS5

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C4C=CC=NC4=CC=C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H31N3OS/c1-31(29(33)28-13-7-19-34-28)27(20-22-8-3-2-4-9-22)23-14-17-32(18-15-23)21-24-10-5-12-26-25(24)11-6-16-30-26/h2-13,16,19,23,27H,14-15,17-18,20-21H2,1H3/p+1/t27-/m1/s1