1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-nitrophenyl)urea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-nitrophenyl)urea Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C20H24N4O4/c1-28-18-9-7-15(8-10-18)19(23-11-2-3-12-23)14-21-20(25)22-16-5-4-6-17(13-16)24(26)27/h4-10,13,19H,2-3,11-12,14H2,1H3,(H2,21,22,25)/p+1/t19-/m0/s1