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

Systemtic Name: 1-(3-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-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[(1R,2S)-1-phenyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]urea IUPAC Name: 1-(3-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-(m-tolyl)urea Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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