1-(4-nitrophenyl)-3-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]urea Openeye Name: 1-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)urea CAS Name: 1-(4-nitrophenyl)-3-[(1R,2R)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]urea Traditional Name: 1-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)urea Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCCC2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCCC2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-13(17(16-5-4-12-26-16)21-10-2-3-11-21)19-18(23)20-14-6-8-15(9-7-14)22(24)25/h4-9,12-13,17H,2-3,10-11H2,1H3,(H2,19,20,23)/p+1/t13-,17-/m1/s1