5-bromanyl-4-chloranyl-2-[[(2-methoxyphenyl)amino]methyl]indol-1-ium-3-one

Systemtic Name: 5-bromanyl-4-chloranyl-2-[[(2-methoxyphenyl)amino]methyl]indol-1-ium-3-one Openeye Name: 5-bromo-4-chloro-2-[(2-methoxyanilino)methyl]indol-1-ium-3-one CAS Name: 5-bromo-4-chloro-2-[(2-methoxyanilino)methyl]-3-indol-1-iumone IUPAC Name: 5-bromo-4-chloro-2-[(2-methoxyanilino)methyl]indol-1-ium-3-one Traditional Name: 5-bromo-4-chloro-2-(o-anisidinomethyl)indol-1-ium-3-one Formula: C16H13BrClN2O2+ MolecularWeight: 380.64362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCC2=[NH+]C3=C(C2=O)C(=C(C=C3)Br)Cl

Isomeric SMILES

COC1=CC=CC=C1NCC2=[NH+]C3=C(C2=O)C(=C(C=C3)Br)Cl

InChI

InChI=1S/C16H12BrClN2O2/c1-22-13-5-3-2-4-10(13)19-8-12-16(21)14-11(20-12)7-6-9(17)15(14)18/h2-7,19H,8H2,1H3/p+1