[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone

Systemtic Name: [(3R)-3,4-dimethylpiperazin-4-ium-1-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone Openeye Name: [(3R)-3,4-dimethylpiperazin-4-ium-1-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)-4-quinolyl]methanone CAS Name: [(3R)-3,4-dimethyl-1-piperazin-4-iumyl]-[6-ethyl-2-(1-methyl-4-pyrazolyl)-4-quinolinyl]methanone IUPAC Name: [(3R)-3,4-dimethylpiperazin-4-ium-1-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone Traditional Name: [(3R)-3,4-dimethylpiperazin-4-ium-1-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)-4-quinolyl]methanone Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](C(C3)C)C)C4=CN(N=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+]([C@@H](C3)C)C)C4=CN(N=C4)C

InChI

InChI=1S/C22H27N5O/c1-5-16-6-7-20-18(10-16)19(11-21(24-20)17-12-23-26(4)14-17)22(28)27-9-8-25(3)15(2)13-27/h6-7,10-12,14-15H,5,8-9,13H2,1-4H3/p+1/t15-/m1/s1