10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-2-(phenylmethyl)phenothiazine-1-carboxamide iodide

Systemtic Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-2-(phenylmethyl)phenothiazine-1-carboxamide iodide Openeye Name: 2-benzyl-10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]phenothiazine-1-carboxamide iodide CAS Name: 10-[1-(1-methyl-1-pyrrolidin-1-iumyl)propan-2-yl]-2-(phenylmethyl)-1-phenothiazinecarboxamide iodide IUPAC Name: 2-benzyl-10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]phenothiazine-1-carboxamide iodide Traditional Name: 2-benzyl-10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]phenothiazine-1-carboxamide iodide Formula: C28H32IN3OS MolecularWeight: 585.54265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCC1)C)N2C3=CC=CC=C3SC4=C2C(=C(C=C4)CC5=CC=CC=C5)C(=O)N.[I-]

Isomeric SMILES

CC(C[N+]1(CCCC1)C)N2C3=CC=CC=C3SC4=C2C(=C(C=C4)CC5=CC=CC=C5)C(=O)N.[I-]

InChI

InChI=1S/C28H31N3OS.HI/c1-20(19-31(2)16-8-9-17-31)30-23-12-6-7-13-24(23)33-25-15-14-22(26(27(25)30)28(29)32)18-21-10-4-3-5-11-21;/h3-7,10-15,20H,8-9,16-19H2,1-2H3,(H-,29,32);1H