1-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)prop-2-en-1-one hydrate tetrahydrochloride

Systemtic Name: 1-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)prop-2-en-1-one hydrate tetrahydrochloride Openeye Name: 1-(4-chlorophenyl)-2-(morpholinomethyl)prop-2-en-1-one hydrate tetrahydrochloride CAS Name: 1-(4-chlorophenyl)-2-(4-morpholinylmethyl)-2-propen-1-one hydrate tetrahydrochloride IUPAC Name: 1-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)prop-2-en-1-one hydrate tetrahydrochloride Traditional Name: 1-(4-chlorophenyl)-2-(morpholinomethyl)prop-2-en-1-one hydrate tetrahydrochloride Formula: C56H70Cl8N4O9 MolecularWeight: 1226.8004

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/4C14H16ClNO2.4ClH.H2O/c4*1-11(10-16-6-8-18-9-7-16)14(17)12-2-4-13(15)5-3-12;;;;;/h4*2-5H,1,6-10H2;4*1H;1H2