5-hexyloxolan-2-one; oxirane; 10-(3-piperidin-1-ylpropyl)phenothiazine; hydrochloride

Systemtic Name: 5-hexyloxolan-2-one; oxirane; 10-(3-piperidin-1-ylpropyl)phenothiazine; hydrochloride Openeye Name: 5-hexyltetrahydrofuran-2-one; oxirane; 10-[3-(1-piperidyl)propyl]phenothiazine; hydrochloride CAS Name: 5-hexyl-2-oxolanone; oxirane; 10-[3-(1-piperidinyl)propyl]phenothiazine; hydrochloride IUPAC Name: 5-hexyloxolan-2-one; oxirane; 10-(3-piperidin-1-ylpropyl)phenothiazine; hydrochloride Traditional Name: ethylene oxide; 5-hexyltetrahydrofuran-2-one; 10-(3-piperidinopropyl)phenothiazine; hydrochloride Formula: C32H47ClN2O3S MolecularWeight: 575.24518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(=O)O1.C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C1CO1.Cl

Isomeric SMILES

CCCCCCC1CCC(=O)O1.C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C1CO1.Cl

InChI

InChI=1S/C20H24N2S.C10H18O2.C2H4O.ClH/c1-6-13-21(14-7-1)15-8-16-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22;1-2-3-4-5-6-9-7-8-10(11)12-9;1-2-3-1;/h2-5,9-12H,1,6-8,13-16H2;9H,2-8H2,1H3;1-2H2;1H