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

Systemtic Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]phenothiazine-2-carboximidamide iodide Openeye Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]phenothiazine-2-carboxamidine iodide CAS Name: 10-[1-(1-methyl-1-pyrrolidin-1-iumyl)propan-2-yl]-2-phenothiazinecarboximidamide iodide IUPAC Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]phenothiazine-2-carboximidamide iodide Traditional Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]phenothiazine-2-carboxamidine iodide Formula: C21H27IN4S MolecularWeight: 494.43535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N4S.HI/c1-15(14-25(2)11-5-6-12-25)24-17-7-3-4-8-19(17)26-20-10-9-16(21(22)23)13-18(20)24;/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H3,22,23);1H/q+1;/p-1