1-(2-oxidanidylisoquinolin-2-ium-5-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl-urea

Systemtic Name: 1-(2-oxidanidylisoquinolin-2-ium-5-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl-urea Openeye Name: 1-(2-oxidoisoquinolin-2-ium-5-yl)-3-spiro[chromane-2,1'-cyclobutane]-4-yl-urea CAS Name: 1-(2-oxido-5-isoquinolin-2-iumyl)-3-(4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclobutane]yl)urea IUPAC Name: 1-(2-oxidoisoquinolin-2-ium-5-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea Traditional Name: 1-(2-oxidoisoquinolin-2-ium-5-yl)-3-spiro[chroman-2,1'-cyclobutane]-4-yl-urea Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)CC(C3=CC=CC=C3O2)NC(=O)NC4=CC=CC5=C4C=C[N+](=C5)[O-]

Isomeric SMILES

C1CC2(C1)CC(C3=CC=CC=C3O2)NC(=O)NC4=CC=CC5=C4C=C[N+](=C5)[O-]

InChI

InChI=1S/C22H21N3O3/c26-21(23-18-7-3-5-15-14-25(27)12-9-16(15)18)24-19-13-22(10-4-11-22)28-20-8-2-1-6-17(19)20/h1-3,5-9,12,14,19H,4,10-11,13H2,(H2,23,24,26)