N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propanamide CAS Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propionamide Formula: C21H33N2O2S+ MolecularWeight: 377.56392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)C3CCSCC3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)C3CCSCC3

InChI

InChI=1S/C21H32N2O2S/c1-16-14-19(25-2)6-7-20(16)22-21(24)8-5-17-4-3-11-23(15-17)18-9-12-26-13-10-18/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1