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

Systemtic Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide Openeye Name: 3-[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide CAS Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)-3-piperidin-1-iumyl]-N-[(3-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide Traditional Name: 3-[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-m-anisyl-propionamide Formula: C25H31N2O2S+ MolecularWeight: 423.59084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N2O2S/c1-29-22-9-4-6-20(14-22)16-26-25(28)12-11-19-7-5-13-27(17-19)18-23-15-21-8-2-3-10-24(21)30-23/h2-4,6,8-10,14-15,19H,5,7,11-13,16-18H2,1H3,(H,26,28)/p+1/t19-/m1/s1