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

Systemtic Name: 1-(4-phenylbutyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(4-phenylbutyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(4-phenylbutyl)-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-(4-phenylbutyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(4-phenylbutyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]urea Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c27-23(24-15-5-4-10-20-8-2-1-3-9-20)25-18-21-11-13-22(14-12-21)19-26-16-6-7-17-26/h1-3,8-9,11-14H,4-7,10,15-19H2,(H2,24,25,27)/p+1