1-(3,4-dimethylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[[1-(1-phenylethyl)-3-pyrrolidin-1-iumyl]methyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]urea Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2CC[NH+](C2)C(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2CC[NH+](C2)C(C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-16-9-10-21(13-17(16)2)24-22(26)23-14-19-11-12-25(15-19)18(3)20-7-5-4-6-8-20/h4-10,13,18-19H,11-12,14-15H2,1-3H3,(H2,23,24,26)/p+1