2-phenoxy-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-phenoxy-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 2-phenoxy-1-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C24H33N3O2+2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2/c28-24(20-29-23-9-5-2-6-10-23)27-17-15-26(16-18-27)22-11-13-25(14-12-22)19-21-7-3-1-4-8-21/h1-10,22H,11-20H2/p+2