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

Systemtic Name: N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-(2-nitrophenyl)ethanamide Openeye Name: N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide CAS Name: N-[[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide IUPAC Name: N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide Traditional Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzyl]-2-(2-nitrophenyl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-17-5-4-12-24(15-17)16-19-10-8-18(9-11-19)14-23-22(26)13-20-6-2-3-7-21(20)25(27)28/h2-3,6-11,17H,4-5,12-16H2,1H3,(H,23,26)/p+1/t17-/m0/s1