butane; [2-[3-[4-[cyclohexyl(phenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]methoxy-oxidanidyl-oxidanylidene-phosphanium

Systemtic Name: butane; [2-[3-[4-[cyclohexyl(phenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]methoxy-oxidanidyl-oxidanylidene-phosphanium Openeye Name: butane; [2-[3-[4-[cyclohexyl(phenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]phenyl]methoxy-oxido-oxo-phosphonium CAS Name: butane; [2-[3-[4-[cyclohexyl(phenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]phenyl]methoxy-oxido-oxophosphonium IUPAC Name: butane; [2-[3-[4-[cyclohexyl(phenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenyl]methoxy-oxido-oxophosphanium Traditional Name: [2-[3-[4-[cyclohexyl(phenyl)methyl]piperazino]-2-hydroxy-propoxy]benzyl]oxy-keto-oxido-phosphonium; n-butane Formula: C31H47N2O5P MolecularWeight: 558.689041

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1CCC(CC1)C(C2=CC=CC=C2)N3CCN(CC3)CC(COC4=CC=CC=C4CO[P+](=O)[O-])O

Isomeric SMILES

CCCC.C1CCC(CC1)C(C2=CC=CC=C2)N3CCN(CC3)CC(COC4=CC=CC=C4CO[P+](=O)[O-])O

InChI

InChI=1S/C27H37N2O5P.C4H10/c30-25(21-33-26-14-8-7-13-24(26)20-34-35(31)32)19-28-15-17-29(18-16-28)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23;1-3-4-2/h1,3-4,7-10,13-14,23,25,27,30H,2,5-6,11-12,15-21H2;3-4H2,1-2H3