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

Systemtic Name: N-[2-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylamino]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-keto-2-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzyl]amino]ethyl]-2-phenyl-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)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-19-6-5-13-27(17-19)18-22-11-9-21(10-12-22)15-25-24(29)16-26-23(28)14-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,25,29)(H,26,28)/p+1/t19-/m0/s1