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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-[4-(3-pyridylmethyl)piperazin-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(3-pyridinylmethyl)-1-piperazinyl]ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(3-pyridylmethyl)piperazino]ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)CC3=CN=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)CC3=CN=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2/c30-23(29-15-13-27(14-16-29)19-21-7-4-9-25-18-21)17-22-24(31)26-10-12-28(22)11-8-20-5-2-1-3-6-20/h1-7,9,18,22H,8,10-17,19H2,(H,26,31)/p+1/t22-/m1/s1