1-[2-(4-ethoxyphenoxy)ethyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-[2-(4-ethoxyphenoxy)ethyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-[2-(4-ethoxyphenoxy)ethyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-[2-(4-ethoxyphenoxy)ethyl]-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]urea Formula: C24H34N3O3+ MolecularWeight: 412.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C24H33N3O3/c1-2-29-22-10-12-23(13-11-22)30-17-14-25-24(28)26-18-20-6-8-21(9-7-20)19-27-15-4-3-5-16-27/h6-13H,2-5,14-19H2,1H3,(H2,25,26,28)/p+1