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

Systemtic Name: (3R)-4-(furan-3-ylmethyl)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(3-furylmethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(3-furanylmethyl)-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(3-furfuryl)-3-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C21H27N4O3+ MolecularWeight: 383.46408

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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=COC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c26-20(24-11-9-23(10-12-24)18-4-2-1-3-5-18)14-19-21(27)22-7-8-25(19)15-17-6-13-28-16-17/h1-6,13,16,19H,7-12,14-15H2,(H,22,27)/p+1/t19-/m1/s1