1-[di(piperidin-1-yl)phosphorylmethyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[di(piperidin-1-yl)phosphorylmethyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[bis(1-piperidyl)phosphorylmethyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[bis(1-piperidinyl)phosphorylmethyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[di(piperidin-1-yl)phosphorylmethyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(dipiperidinophosphorylmethyl)-4-phenyl-piperazin-1-ium Formula: C21H36N4OP+ MolecularWeight: 391.510501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)P(=O)(C[NH+]2CCN(CC2)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)P(=O)(C[NH+]2CCN(CC2)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H35N4OP/c26-27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-22-16-18-23(19-17-22)21-10-4-1-5-11-21/h1,4-5,10-11H,2-3,6-9,12-20H2/p+1