2-piperidin-1-ium-1-ylethyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3-phenothiazin-10-ylpropanoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H26N2O2S/c25-22(26-17-16-23-13-6-1-7-14-23)12-15-24-18-8-2-4-10-20(18)27-21-11-5-3-9-19(21)24/h2-5,8-11H,1,6-7,12-17H2/p+1