2-(5-methyl-2-nitro-phenoxy)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(5-methyl-2-nitro-phenoxy)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-methyl-2-nitro-phenoxy)acetamide CAS Name: 2-(5-methyl-2-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-methyl-2-nitro-phenoxy)acetamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-15-7-8-18(23(25)26)19(11-15)27-14-20(24)21-17-9-10-22(13-17)12-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3,(H,21,24)/p+1/t17-/m0/s1