1-(3-chloranyl-2-methyl-phenyl)-3-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-hydroxy-4-(1-pyrrolidin-1-iumylidene)-1-benzopyran-3-yl]urea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidenechromen-3-yl)urea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)NC2=C(OC3=CC=CC=C3C2=[N+]4CCCC4)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)NC2=C(OC3=CC=CC=C3C2=[N+]4CCCC4)O

InChI

InChI=1S/C21H20ClN3O3/c1-13-15(22)8-6-9-16(13)23-21(27)24-18-19(25-11-4-5-12-25)14-7-2-3-10-17(14)28-20(18)26/h2-3,6-10H,4-5,11-12H2,1H3,(H2,23,24,27)/p+1