N-[4-[[(3S)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(4-methoxy-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-(4-methoxy-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H28N2O3/c1-16-13-21(28-3)10-11-22(16)23(27)19-5-4-12-25(15-19)14-18-6-8-20(9-7-18)24-17(2)26/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1