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N-phenethyl-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-benzamide

N-phenethyl-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name:N-phenethyl-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-benzamide
Openeye Name:N-phenethyl-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzamide
CAS Name:N-phenethyl-3-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]benzamide
IUPAC Name:N-phenethyl-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxybenzamide
Traditional Name:N-phenethyl-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzamide
Formula: C25H33N2O2S+
MolecularWeight: 425.60672
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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)C4CCSCC4


Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)C4CCSCC4


InChI

InChI=1S/C25H32N2O2S/c28-25(26-14-9-20-5-2-1-3-6-20)21-7-4-8-24(19-21)29-23-10-15-27(16-11-23)22-12-17-30-18-13-22/h1-8,19,22-23H,9-18H2,(H,26,28)/p+1


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