4-[4-[[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[4-[3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[4-(3-piperidin-1-ium-1-ylpropoxy)benzyl]piperazin-4-ium-1-yl]phenol Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H35N3O2/c29-24-9-7-23(8-10-24)28-18-16-27(17-19-28)21-22-5-11-25(12-6-22)30-20-4-15-26-13-2-1-3-14-26/h5-12,29H,1-4,13-21H2/p+2