1-[(4-methoxyphenyl)methyl]-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-p-anisyl-3-[3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]urea Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)NCC2=CC(=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)NCC2=CC(=CC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O2/c1-26-20-9-7-17(8-10-20)14-22-21(25)23-15-18-5-4-6-19(13-18)16-24-11-2-3-12-24/h4-10,13H,2-3,11-12,14-16H2,1H3,(H2,22,23,25)/p+1