1-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]cinnolin-4-one

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]cinnolin-4-one Openeye Name: 1-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-4-cinnolinone IUPAC Name: 1-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]cinnolin-4-one Traditional Name: 1-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]cinnolin-4-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C22H24N4O2/c1-17(26-20-10-6-5-9-19(20)21(27)15-23-26)22(28)25-13-11-24(12-14-25)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3/p+1/t17-/m1/s1