1-[5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentyl]urea

Systemtic Name: 1-[5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentyl]urea Openeye Name: [5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxo-pentyl]urea CAS Name: [5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-5-oxopentyl]urea IUPAC Name: [5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxopentyl]urea Traditional Name: [5-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-5-keto-pentyl]urea Formula: C19H29N4O3+ MolecularWeight: 361.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCCCNC(=O)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCCCNC(=O)N

InChI

InChI=1S/C19H28N4O3/c20-19(25)21-7-2-1-3-18(24)23-10-8-22(9-11-23)14-15-4-5-17-16(13-15)6-12-26-17/h4-5,13H,1-3,6-12,14H2,(H3,20,21,25)/p+1