(5S)-1-(cyclohexylmethyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-(cyclohexylmethyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-piperidin-2-one Openeye Name: (5S)-1-(cyclohexylmethyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]piperidin-2-one CAS Name: (5S)-1-(cyclohexylmethyl)-5-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]-2-piperidinone IUPAC Name: (5S)-1-(cyclohexylmethyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]piperidin-2-one Traditional Name: (5S)-1-(cyclohexylmethyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]-2-piperidone Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3CCC(=O)N(C3)CC4CCCCC4

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)[C@H]3CCC(=O)N(C3)CC4CCCCC4

InChI

InChI=1S/C23H34N4O2/c1-18-6-5-9-21(24-18)25-12-14-26(15-13-25)23(29)20-10-11-22(28)27(17-20)16-19-7-3-2-4-8-19/h5-6,9,19-20H,2-4,7-8,10-17H2,1H3/p+1/t20-/m0/s1