2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C18H29ClN5O2+ MolecularWeight: 382.90816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3C)C)Cl

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C18H28ClN5O2/c1-13-6-4-5-7-24(13)15(25)12-22-8-10-23(11-9-22)18(26)16-14(2)20-21(3)17(16)19/h13H,4-12H2,1-3H3/p+1/t13-/m0/s1