ethyl 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylate dihydrochloride

Systemtic Name: ethyl 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylate dihydrochloride Openeye Name: ethyl 5-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]-1,3-benzodioxole-2-carboxylate dihydrochloride CAS Name: 5-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]-1,3-benzodioxole-2-carboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylate dihydrochloride Traditional Name: 5-[4-[2-(4-piperidyl)ethyl]piperazino]-1,3-benzodioxole-2-carboxylic acid ethyl ester dihydrochloride Formula: C21H33Cl2N3O4 MolecularWeight: 462.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1OC2=C(O1)C=C(C=C2)N3CCN(CC3)CCC4CCNCC4.Cl.Cl

Isomeric SMILES

CCOC(=O)C1OC2=C(O1)C=C(C=C2)N3CCN(CC3)CCC4CCNCC4.Cl.Cl

InChI

InChI=1S/C21H31N3O4.2ClH/c1-2-26-20(25)21-27-18-4-3-17(15-19(18)28-21)24-13-11-23(12-14-24)10-7-16-5-8-22-9-6-16;;/h3-4,15-16,21-22H,2,5-14H2,1H3;2*1H