2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl ethanoate; 1-ethyl-2-methyl-benzene; dihydrochloride

Systemtic Name: 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl ethanoate; 1-ethyl-2-methyl-benzene; dihydrochloride Openeye Name: 2-[4-(2-acetoxyethyl)piperazin-1-yl]ethyl acetate; 1-ethyl-2-methyl-benzene; dihydrochloride CAS Name: acetic acid 2-[4-(2-acetyloxyethyl)-1-piperazinyl]ethyl ester; 1-ethyl-2-methylbenzene; dihydrochloride IUPAC Name: 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate; 1-ethyl-2-methylbenzene; dihydrochloride Traditional Name: acetic acid 2-[4-(2-acetoxyethyl)piperazino]ethyl ester; 1-ethyl-2-methyl-benzene; dihydrochloride Formula: C21H36Cl2N2O4 MolecularWeight: 451.42754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C.CC(=O)OCCN1CCN(CC1)CCOC(=O)C.Cl.Cl

Isomeric SMILES

CCC1=CC=CC=C1C.CC(=O)OCCN1CCN(CC1)CCOC(=O)C.Cl.Cl

InChI

InChI=1S/C12H22N2O4.C9H12.2ClH/c1-11(15)17-9-7-13-3-5-14(6-4-13)8-10-18-12(2)16;1-3-9-7-5-4-6-8(9)2;;/h3-10H2,1-2H3;4-7H,3H2,1-2H3;2*1H