(5-bromanylindol-2-ylidene)-[[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]amino]methanolate

Systemtic Name: (5-bromanylindol-2-ylidene)-[[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]amino]methanolate Openeye Name: (5-bromoindol-2-ylidene)-[[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]amino]methanolate CAS Name: (5-bromo-2-indolylidene)-[[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]amino]methanolate IUPAC Name: (5-bromoindol-2-ylidene)-[[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]amino]methanolate Traditional Name: (5-bromoindol-2-ylidene)-[[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]amino]methanolate Formula: C17H17BrN4O2S MolecularWeight: 421.31148

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)NC(=C3C=C4C=C(C=CC4=N3)Br)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)NC(=C3C=C4C=C(C=CC4=N3)Br)[O-]

InChI

InChI=1S/C17H17BrN4O2S/c18-12-1-2-14-11(7-12)8-15(20-14)16(23)21-17-19-13(10-25-17)9-22-3-5-24-6-4-22/h1-2,7-8,10,23H,3-6,9H2,(H,19,21)