(5S)-5-[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-1-cycloheptyl-piperidin-2-one

Systemtic Name: (5S)-5-[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-1-cycloheptyl-piperidin-2-one Openeye Name: (5S)-5-[4-(5-chloropyridin-1-ium-2-yl)piperazine-1-carbonyl]-1-cycloheptyl-piperidin-2-one CAS Name: (5S)-5-[[4-(5-chloro-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]-1-cycloheptyl-2-piperidinone IUPAC Name: (5S)-5-[4-(5-chloropyridin-1-ium-2-yl)piperazine-1-carbonyl]-1-cycloheptylpiperidin-2-one Traditional Name: (5S)-5-[4-(5-chloropyridin-1-ium-2-yl)piperazine-1-carbonyl]-1-cycloheptyl-2-piperidone Formula: C22H32ClN4O2+ MolecularWeight: 419.96808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CC(CCC2=O)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)Cl

Isomeric SMILES

C1CCCC(CC1)N2C[C@H](CCC2=O)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)Cl

InChI

InChI=1S/C22H31ClN4O2/c23-18-8-9-20(24-15-18)25-11-13-26(14-12-25)22(29)17-7-10-21(28)27(16-17)19-5-3-1-2-4-6-19/h8-9,15,17,19H,1-7,10-14,16H2/p+1/t17-/m0/s1