1-(4-methylphenyl)-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]urea Openeye Name: 1-[(1S,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[(1R,2S)-1-phenyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl]urea Traditional Name: 1-[(1S,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(p-tolyl)urea Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(C)C(C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N[C@@H](C)[C@@H](C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O/c1-16-10-12-19(13-11-16)23-21(25)22-17(2)20(24-14-6-7-15-24)18-8-4-3-5-9-18/h3-5,8-13,17,20H,6-7,14-15H2,1-2H3,(H2,22,23,25)/p+1/t17-,20-/m0/s1