10-[(1-methylpiperidin-1-ium-3-yl)methyl]phenothiazine ethanoate

Systemtic Name: 10-[(1-methylpiperidin-1-ium-3-yl)methyl]phenothiazine ethanoate Openeye Name: 10-[(1-methylpiperidin-1-ium-3-yl)methyl]phenothiazine acetate CAS Name: 10-[(1-methyl-3-piperidin-1-iumyl)methyl]phenothiazine acetate IUPAC Name: 10-[(1-methylpiperidin-1-ium-3-yl)methyl]phenothiazine acetate Traditional Name: 10-[(1-methylpiperidin-1-ium-3-yl)methyl]phenothiazine acetate Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2S.C2H4O2/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;1-2(3)4/h2-5,8-11,15H,6-7,12-14H2,1H3;1H3,(H,3,4)