2-[4-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)CCO)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)CCO)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O2/c28-18-17-25-13-15-27(16-14-25)22-9-11-26(12-10-22)20-21-5-4-8-24(19-21)29-23-6-2-1-3-7-23/h1-8,19,22,28H,9-18,20H2/p+2