1-tert-butyl-3-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]urea

Systemtic Name: 1-tert-butyl-3-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]urea Openeye Name: 1-tert-butyl-3-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]urea CAS Name: 1-tert-butyl-3-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]urea IUPAC Name: 1-tert-butyl-3-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]urea Traditional Name: 1-tert-butyl-3-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]urea Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)NC(=O)N[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H32N4O2/c1-25(2,3)27-24(30)28-29(15-4-5-16-29)17-6-18-31-23-13-11-22(12-14-23)21-9-7-20(19-26)8-10-21/h7-14H,4-6,15-18H2,1-3H3,(H-,27,28,30)/p+1