(5S)-1-(cyclohexylmethyl)-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-(cyclohexylmethyl)-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidin-2-one Openeye Name: (5S)-1-(cyclohexylmethyl)-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]piperidin-2-one CAS Name: (5S)-1-(cyclohexylmethyl)-5-[oxo-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-2-piperidinone IUPAC Name: (5S)-1-(cyclohexylmethyl)-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-2-one Traditional Name: (5S)-1-(cyclohexylmethyl)-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]-2-piperidone Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CC(CCC2=O)C(=O)N3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)CN2C[C@H](CCC2=O)C(=O)N3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H34N4O2/c28-22-9-8-21(18-27(22)17-19-5-2-1-3-6-19)23(29)26-13-11-25(12-14-26)16-20-7-4-10-24-15-20/h4,7,10,15,19,21H,1-3,5-6,8-9,11-14,16-18H2/p+1/t21-/m0/s1