1-[6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-6-oxohexyl]urea IUPAC Name: [6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxohexyl]urea Traditional Name: [6-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-6-keto-hexyl]urea Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3/c21-20(26)22-8-3-1-2-4-19(25)24-11-9-23(10-12-24)15-16-5-6-18-17(14-16)7-13-27-18/h5-6,14H,1-4,7-13,15H2,(H3,21,22,26)/p+1