1-(3,5-dimethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(3,5-dimethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(3,5-dimethylphenyl)-3-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C20H25N3O/c1-15-11-16(2)13-19(12-15)22-20(24)21-18-7-5-17(6-8-18)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H2,21,22,24)/p+1