3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

Systemtic Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide Openeye Name: 3-[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methyl-2-furyl)methyl]propanamide CAS Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)-3-piperidin-1-iumyl]-N-[(5-methyl-2-furanyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide Traditional Name: 3-[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(5-methyl-2-furyl)methyl]propionamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)CCC2CCC[NH+](C2)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N2O2S/c1-17-8-10-20(27-17)14-24-23(26)11-9-18-5-4-12-25(15-18)16-21-13-19-6-2-3-7-22(19)28-21/h2-3,6-8,10,13,18H,4-5,9,11-12,14-16H2,1H3,(H,24,26)/p+1/t18-/m1/s1