3-(5-bromanylindol-1-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(5-bromanylindol-1-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide Openeye Name: 3-(5-bromoindol-1-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide CAS Name: 3-(5-bromo-1-indolyl)-N-[4-(4-morpholin-4-iumylmethyl)phenyl]propanamide IUPAC Name: 3-(5-bromoindol-1-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide Traditional Name: 3-(5-bromoindol-1-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propionamide Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCN3C=CC4=C3C=CC(=C4)Br

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCN3C=CC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H24BrN3O2/c23-19-3-6-21-18(15-19)7-9-26(21)10-8-22(27)24-20-4-1-17(2-5-20)16-25-11-13-28-14-12-25/h1-7,9,15H,8,10-14,16H2,(H,24,27)/p+1