(3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(2-naphthylmethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2-naphthalenylmethyl)-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenylpiperazino)ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H30N4O2/c32-26(30-16-14-29(15-17-30)24-8-2-1-3-9-24)19-25-27(33)28-12-13-31(25)20-21-10-11-22-6-4-5-7-23(22)18-21/h1-11,18,25H,12-17,19-20H2,(H,28,33)/p+1/t25-/m1/s1