N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]phenothiazine-10-carboxamide iodide

Systemtic Name: N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]phenothiazine-10-carboxamide iodide Openeye Name: N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]phenothiazine-10-carboxamide iodide CAS Name: N-[(1-ethyl-1-methyl-2-pyrrolidin-1-iumyl)methyl]-10-phenothiazinecarboxamide iodide IUPAC Name: N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]phenothiazine-10-carboxamide iodide Traditional Name: N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]phenothiazine-10-carboxamide iodide Formula: C21H26IN3OS MolecularWeight: 495.42011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1CNC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C.[I-]

Isomeric SMILES

CC[N+]1(CCCC1CNC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C.[I-]

InChI

InChI=1S/C21H25N3OS.HI/c1-3-24(2)14-8-9-16(24)15-22-21(25)23-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)23;/h4-7,10-13,16H,3,8-9,14-15H2,1-2H3;1H