1-(4-butylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]urea

Systemtic Name: 1-(4-butylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]urea Openeye Name: 1-(4-butylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]urea CAS Name: 1-(4-butylphenyl)-3-[4-(4-morpholin-4-iumylmethyl)phenyl]urea IUPAC Name: 1-(4-butylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]urea Traditional Name: 1-(4-butylphenyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]urea Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O2/c1-2-3-4-18-5-9-20(10-6-18)23-22(26)24-21-11-7-19(8-12-21)17-25-13-15-27-16-14-25/h5-12H,2-4,13-17H2,1H3,(H2,23,24,26)/p+1