10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-prop-2-ynyl-phenothiazine-2-carboxamide iodide

Systemtic Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-prop-2-ynyl-phenothiazine-2-carboxamide iodide Openeye Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-prop-2-ynyl-phenothiazine-2-carboxamide iodide CAS Name: 10-[1-(1-methyl-1-pyrrolidin-1-iumyl)propan-2-yl]-N-prop-2-ynyl-2-phenothiazinecarboxamide iodide IUPAC Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-prop-2-ynylphenothiazine-2-carboxamide iodide Traditional Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-propargyl-phenothiazine-2-carboxamide iodide Formula: C24H28IN3OS MolecularWeight: 533.46809

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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(=O)NCC#C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3OS.HI/c1-4-13-25-24(28)19-11-12-23-21(16-19)26(20-9-5-6-10-22(20)29-23)18(2)17-27(3)14-7-8-15-27;/h1,5-6,9-12,16,18H,7-8,13-15,17H2,2-3H3;1H