(3R)-3-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-ethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-ethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-ethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-4-ethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-4-ethyl-piperazin-4-ium-2-one Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCN(CC2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H30N4O2/c1-4-22-8-7-21-20(26)18(22)14-19(25)24-11-9-23(10-12-24)17-13-15(2)5-6-16(17)3/h5-6,13,18H,4,7-12,14H2,1-3H3,(H,21,26)/p+1/t18-/m1/s1