1-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-1-oxidanyl-indol-1-ium-3-yl]ethyl]urea

Systemtic Name: 1-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-1-oxidanyl-indol-1-ium-3-yl]ethyl]urea Openeye Name: 2-[1-(4-chlorobenzoyl)-1-hydroxy-5-methoxy-2-methyl-indol-1-ium-3-yl]ethylurea CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-1-hydroxy-5-methoxy-2-methyl-3-indol-1-iumyl]ethylurea IUPAC Name: 2-[1-(4-chlorobenzoyl)-1-hydroxy-5-methoxy-2-methylindol-1-ium-3-yl]ethylurea Traditional Name: 2-[1-(4-chlorobenzoyl)-1-hydroxy-5-methoxy-2-methyl-indol-1-ium-3-yl]ethylurea Formula: C20H21ClN3O4+ MolecularWeight: 402.85144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([N+]1(C(=O)C3=CC=C(C=C3)Cl)O)C=CC(=C2)OC)CCNC(=O)N

Isomeric SMILES

CC1=C(C2=C([N+]1(C(=O)C3=CC=C(C=C3)Cl)O)C=CC(=C2)OC)CCNC(=O)N

InChI

InChI=1S/C20H20ClN3O4/c1-12-16(9-10-23-20(22)26)17-11-15(28-2)7-8-18(17)24(12,27)19(25)13-3-5-14(21)6-4-13/h3-8,11,27H,9-10H2,1-2H3,(H2-,22,23,26)/p+1