1-[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-3-(4-nitrophenyl)urea CAS Name: 1-[(2R)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(2R)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-3-(4-nitrophenyl)urea Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@H](CNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C16H24N4O3/c1-12(2)15(19-9-3-4-10-19)11-17-16(21)18-13-5-7-14(8-6-13)20(22)23/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,18,21)/p+1/t15-/m0/s1