3-[5-chloranyl-1-methoxy-1-(phenylcarbonyl)-2-propyl-indol-1-ium-3-yl]propanamide

Systemtic Name: 3-[5-chloranyl-1-methoxy-1-(phenylcarbonyl)-2-propyl-indol-1-ium-3-yl]propanamide Openeye Name: 3-(1-benzoyl-5-chloro-1-methoxy-2-propyl-indol-1-ium-3-yl)propanamide CAS Name: 3-(1-benzoyl-5-chloro-1-methoxy-2-propyl-3-indol-1-iumyl)propanamide IUPAC Name: 3-(1-benzoyl-5-chloro-1-methoxy-2-propylindol-1-ium-3-yl)propanamide Traditional Name: 3-(1-benzoyl-5-chloro-1-methoxy-2-propyl-indol-1-ium-3-yl)propionamide Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C([N+]1(C(=O)C3=CC=CC=C3)OC)C=CC(=C2)Cl)CCC(=O)N

Isomeric SMILES

CCCC1=C(C2=C([N+]1(C(=O)C3=CC=CC=C3)OC)C=CC(=C2)Cl)CCC(=O)N

InChI

InChI=1S/C22H23ClN2O3/c1-3-7-19-17(11-13-21(24)26)18-14-16(23)10-12-20(18)25(19,28-2)22(27)15-8-5-4-6-9-15/h4-6,8-10,12,14H,3,7,11,13H2,1-2H3,(H-,24,26)/p+1