3-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC=C(S3)Cl

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H24ClN3OS/c20-18-5-4-17(25-18)14-23-10-7-15(8-11-23)3-6-19(24)22-13-16-2-1-9-21-12-16/h1-2,4-5,9,12,15H,3,6-8,10-11,13-14H2,(H,22,24)/p+1