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

Systemtic Name: 1-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea CAS Name: [(2S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)N

InChI

InChI=1S/C19H28N4O3/c1-13(2)17(21-19(20)25)18(24)23-8-6-22(7-9-23)12-14-3-4-16-15(11-14)5-10-26-16/h3-4,11,13,17H,5-10,12H2,1-2H3,(H3,20,21,25)/p+1/t17-/m0/s1