2-[4-(2-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(2-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(2-chloro-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(2-chloronicotinoyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C18H26ClN4O2+ MolecularWeight: 365.87764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O2/c1-14-5-2-3-8-23(14)16(24)13-21-9-11-22(12-10-21)18(25)15-6-4-7-20-17(15)19/h4,6-7,14H,2-3,5,8-13H2,1H3/p+1/t14-/m0/s1