carbanide; 1-[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]propan-1-one; yttrium; nitrite

Systemtic Name: carbanide; 1-[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]propan-1-one; yttrium; nitrite Openeye Name: 1-(4-benzyl-2,5-dimethyl-piperazin-1-yl)propan-1-one; carbanide; yttrium; nitrite CAS Name: carbanide; 1-[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-1-propanone; yttrium; nitrite IUPAC Name: 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one; carbanide; yttrium; nitrite Traditional Name: 1-(4-benzyl-2,5-dimethyl-piperazino)propan-1-one; carbanide; yttrium; nitrite Formula: C17H26N3O3Y-3 MolecularWeight: 409.31249

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC1CN(C(CN1C(=O)C[CH2-])C)CC2=CC=CC=C2.N(=O)[O-].[Y]

Isomeric SMILES

[CH3-].CC1CN(C(CN1C(=O)C[CH2-])C)CC2=CC=CC=C2.N(=O)[O-].[Y]

InChI

InChI=1S/C16H23N2O.CH3.HNO2.Y/c1-4-16(19)18-11-13(2)17(10-14(18)3)12-15-8-6-5-7-9-15;;2-1-3;/h5-9,13-14H,1,4,10-12H2,2-3H3;1H3;(H,2,3);/q2*-1;;/p-1