N-(3-methylbutyl)-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide Openeye Name: N-isopentyl-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide CAS Name: N-(3-methylbutyl)-1-[1-(10-phenothiazinyl)propyl]-1-pyrrolidin-1-iumcarboxamide IUPAC Name: N-(3-methylbutyl)-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide Traditional Name: N-isoamyl-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide Formula: C25H34N3OS+ MolecularWeight: 424.62196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)C(=O)NCCC(C)C

Isomeric SMILES

CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)C(=O)NCCC(C)C

InChI

InChI=1S/C25H33N3OS/c1-4-24(28(17-9-10-18-28)25(29)26-16-15-19(2)3)27-20-11-5-7-13-22(20)30-23-14-8-6-12-21(23)27/h5-8,11-14,19,24H,4,9-10,15-18H2,1-3H3/p+1