3-[2-(4-phenethylpiperidin-1-ium-1-yl)ethylsulfonyl]propanamide

Systemtic Name: 3-[2-(4-phenethylpiperidin-1-ium-1-yl)ethylsulfonyl]propanamide Openeye Name: 3-[2-(4-phenethylpiperidin-1-ium-1-yl)ethylsulfonyl]propanamide CAS Name: 3-[2-(4-phenethyl-1-piperidin-1-iumyl)ethylsulfonyl]propanamide IUPAC Name: 3-[2-(4-phenethylpiperidin-1-ium-1-yl)ethylsulfonyl]propanamide Traditional Name: 3-[2-(4-phenethylpiperidin-1-ium-1-yl)ethylsulfonyl]propionamide Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C18H28N2O3S/c19-18(21)10-14-24(22,23)15-13-20-11-8-17(9-12-20)7-6-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H2,19,21)/p+1