(Z)-4-(1-butyl-1-methoxy-indol-1-ium-3-yl)-2,3-bis(chloranyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-(1-butyl-1-methoxy-indol-1-ium-3-yl)-2,3-bis(chloranyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(1-butyl-1-methoxy-indol-1-ium-3-yl)-2,3-dichloro-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(1-butyl-1-methoxy-3-indol-1-iumyl)-2,3-dichloro-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(1-butyl-1-methoxyindol-1-ium-3-yl)-2,3-dichloro-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(1-butyl-1-methoxy-indol-1-ium-3-yl)-2,3-dichloro-4-keto-but-2-enoic acid Formula: C17H18Cl2NO4+ MolecularWeight: 371.23512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C2=CC=CC=C21)C(=O)C(=C(C(=O)O)Cl)Cl)OC

Isomeric SMILES

CCCC[N+]1(C=C(C2=CC=CC=C21)C(=O)/C(=C(\C(=O)O)/Cl)/Cl)OC

InChI

InChI=1S/C17H17Cl2NO4/c1-3-4-9-20(24-2)10-12(11-7-5-6-8-13(11)20)16(21)14(18)15(19)17(22)23/h5-8,10H,3-4,9H2,1-2H3/p+1/b15-14-