2-methyl-3-(1-phenethylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-N-propyl-propanamide

Systemtic Name: 2-methyl-3-(1-phenethylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-N-propyl-propanamide Openeye Name: 2-methyl-3-(1-phenethylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-N-propyl-propanamide CAS Name: 2-methyl-3-(1-phenethyl-1-pyrrolidin-1-iumyl)-3-(10-phenothiazinyl)-N-propylpropanamide IUPAC Name: 2-methyl-3-(1-phenethylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-N-propylpropanamide Traditional Name: 2-methyl-3-(1-phenethylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-N-propyl-propionamide Formula: C31H38N3OS+ MolecularWeight: 500.71792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)C(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)CCC5=CC=CC=C5

Isomeric SMILES

CCCNC(=O)C(C)C(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C31H37N3OS/c1-3-20-32-30(35)24(2)31(34(21-11-12-22-34)23-19-25-13-5-4-6-14-25)33-26-15-7-9-17-28(26)36-29-18-10-8-16-27(29)33/h4-10,13-18,24,31H,3,11-12,19-23H2,1-2H3/p+1