1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1-methyl-2-oxidanidyl-isoquinolin-2-ium-5-yl)urea

Systemtic Name: 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1-methyl-2-oxidanidyl-isoquinolin-2-ium-5-yl)urea Openeye Name: 1-(2,2-dimethylchroman-4-yl)-3-(1-methyl-2-oxido-isoquinolin-2-ium-5-yl)urea CAS Name: 1-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(1-methyl-2-oxido-5-isoquinolin-2-iumyl)urea IUPAC Name: 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1-methyl-2-oxidoisoquinolin-2-ium-5-yl)urea Traditional Name: 1-(2,2-dimethylchroman-4-yl)-3-(1-methyl-2-oxido-isoquinolin-2-ium-5-yl)urea Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1C=CC=C2NC(=O)NC3CC(OC4=CC=CC=C34)(C)C)[O-]

Isomeric SMILES

CC1=[N+](C=CC2=C1C=CC=C2NC(=O)NC3CC(OC4=CC=CC=C34)(C)C)[O-]

InChI

InChI=1S/C22H23N3O3/c1-14-15-8-6-9-18(16(15)11-12-25(14)27)23-21(26)24-19-13-22(2,3)28-20-10-5-4-7-17(19)20/h4-12,19H,13H2,1-3H3,(H2,23,24,26)