6-bromanyl-3-ethoxycarbonyl-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(piperidin-1-ylmethyl)indol-5-olate

Systemtic Name: 6-bromanyl-3-ethoxycarbonyl-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(piperidin-1-ylmethyl)indol-5-olate Openeye Name: 6-bromo-3-ethoxycarbonyl-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(1-piperidylmethyl)indol-5-olate CAS Name: 6-bromo-3-ethoxycarbonyl-4-(4-morpholin-4-iumylmethyl)-1-phenyl-2-(1-piperidinylmethyl)-5-indololate IUPAC Name: 6-bromo-3-ethoxycarbonyl-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(piperidin-1-ylmethyl)indol-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(piperidinomethyl)indol-5-olate Formula: C28H34BrN3O4 MolecularWeight: 556.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCOCC3)[O-])Br)C4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCOCC3)[O-])Br)C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C28H34BrN3O4/c1-2-36-28(34)26-24(19-30-11-7-4-8-12-30)32(20-9-5-3-6-10-20)23-17-22(29)27(33)21(25(23)26)18-31-13-15-35-16-14-31/h3,5-6,9-10,17,33H,2,4,7-8,11-16,18-19H2,1H3