1-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperazin-1-yl)butan-1-one dihydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperazin-1-yl)butan-1-one dihydrochloride Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperazin-1-yl)butan-1-one dihydrochloride CAS Name: 1-(1,3-benzodioxol-5-yl)-4-(4-phenyl-1-piperazinyl)-1-butanone dihydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperazin-1-yl)butan-1-one dihydrochloride Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperazino)butan-1-one dihydrochloride Formula: C21H26Cl2N2O3 MolecularWeight: 425.34874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H24N2O3.2ClH/c24-19(17-8-9-20-21(15-17)26-16-25-20)7-4-10-22-11-13-23(14-12-22)18-5-2-1-3-6-18;;/h1-3,5-6,8-9,15H,4,7,10-14,16H2;2*1H