10-[(1,1-dimethylpiperidin-1-ium-3-yl)methyl]phenothiazine; methyl hydrogen sulfate

Systemtic Name: 10-[(1,1-dimethylpiperidin-1-ium-3-yl)methyl]phenothiazine; methyl hydrogen sulfate Openeye Name: 10-[(1,1-dimethylpiperidin-1-ium-3-yl)methyl]phenothiazine; methyl hydrogen sulfate CAS Name: 10-[(1,1-dimethyl-3-piperidin-1-iumyl)methyl]phenothiazine; sulfuric acid methyl ester IUPAC Name: 10-[(1,1-dimethylpiperidin-1-ium-3-yl)methyl]phenothiazine; methyl hydrogen sulfate Traditional Name: 10-[(1,1-dimethylpiperidin-1-ium-3-yl)methyl]phenothiazine; sulfuric acid methyl ester Formula: C21H29N2O4S2+ MolecularWeight: 437.59596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N2S.CH4O4S/c1-22(2)13-7-8-16(15-22)14-21-17-9-3-5-11-19(17)23-20-12-6-4-10-18(20)21;1-5-6(2,3)4/h3-6,9-12,16H,7-8,13-15H2,1-2H3;1H3,(H,2,3,4)/q+1;