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

Systemtic Name: 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)NC(=O)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)NC(=O)N

InChI

InChI=1S/C21H24N4O3/c22-21(27)23-18-3-1-2-17(13-18)20(26)25-9-7-24(8-10-25)14-15-4-5-19-16(12-15)6-11-28-19/h1-5,12-13H,6-11,14H2,(H3,22,23,27)/p+1