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

Systemtic Name: 1-(4-methylphenyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]urea Traditional Name: 1-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(p-tolyl)urea Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(C[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N[C@H](C[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-16-9-11-18(12-10-16)21-20(24)22-19(15-23-13-5-6-14-23)17-7-3-2-4-8-17/h2-4,7-12,19H,5-6,13-15H2,1H3,(H2,21,22,24)/p+1/t19-/m1/s1