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

Systemtic Name: 2-(4-acetamidophenyl)-N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)-N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]acetamide CAS Name: 2-(4-acetamidophenyl)-N-[[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)-N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]acetamide Traditional Name: 2-(4-acetamidophenyl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzyl]acetamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C24H31N3O2/c1-18-4-3-13-27(16-18)17-22-7-5-21(6-8-22)15-25-24(29)14-20-9-11-23(12-10-20)26-19(2)28/h5-12,18H,3-4,13-17H2,1-2H3,(H,25,29)(H,26,28)/p+1/t18-/m0/s1