3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3OS/c27-23(25-16-19-4-3-11-24-15-19)8-7-18-9-12-26(13-10-18)17-21-14-20-5-1-2-6-22(20)28-21/h1-6,11,14-15,18H,7-10,12-13,16-17H2,(H,25,27)/p+1