copper; 3,5-bis[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-benzenecarbonitrile; copper(1+); ethane-1,1-diol

Systemtic Name: copper; 3,5-bis[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-benzenecarbonitrile; copper(1+); ethane-1,1-diol Openeye Name: copper; cuprous; ethane-1,1-diol; 4-hydroxy-3,5-bis[(4-methylpiperazin-1-yl)methyl]benzonitrile CAS Name: copper; copper(1+); ethane-1,1-diol; 4-hydroxy-3,5-bis[(4-methyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: copper; copper(1+); ethane-1,1-diol; 4-hydroxy-3,5-bis[(4-methylpiperazin-1-yl)methyl]benzonitrile Traditional Name: cupric; cuprous; ethane-1,1-diol; 4-hydroxy-3,5-bis[(4-methylpiperazino)methyl]benzonitrile Formula: C23H41Cu2N5O5+3 MolecularWeight: 594.69414

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CN1CCN(CC1)CC2=CC(=CC(=C2O)CN3CCN(CC3)C)C#N.[Cu+].[Cu+2]

Isomeric SMILES

CC(O)O.CC(O)O.CN1CCN(CC1)CC2=CC(=CC(=C2O)CN3CCN(CC3)C)C#N.[Cu+].[Cu+2]

InChI

InChI=1S/C19H29N5O.2C2H6O2.2Cu/c1-21-3-7-23(8-4-21)14-17-11-16(13-20)12-18(19(17)25)15-24-9-5-22(2)6-10-24;2*1-2(3)4;;/h11-12,25H,3-10,14-15H2,1-2H3;2*2-4H,1H3;;/q;;;+1;+2