10-[(1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl)methyl]phenothiazine; methyl sulfate

Systemtic Name: 10-[(1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl)methyl]phenothiazine; methyl sulfate Openeye Name: 10-[(1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl)methyl]phenothiazine; methyl sulfate CAS Name: 10-[(1-ethyl-1-methyl-3-pyrrolidin-1-iumyl)methyl]phenothiazine; methyl sulfate IUPAC Name: 10-[(1-ethyl-1-methylpyrrolidin-1-ium-3-yl)methyl]phenothiazine; methyl sulfate Traditional Name: 10-[(1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl)methyl]phenothiazine; methyl sulfate Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H25N2S.CH4O4S/c1-3-22(2)13-12-16(15-22)14-21-17-8-4-6-10-19(17)23-20-11-7-5-9-18(20)21;1-5-6(2,3)4/h4-11,16H,3,12-15H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1