1-(3-methoxyphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]urea Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C20H25N3O2/c1-25-19-10-6-9-18(13-19)22-20(24)21-14-16-7-2-3-8-17(16)15-23-11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H2,21,22,24)/p+1