1-cyclohexyl-4-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]piperazin-4-ium-2-one

Systemtic Name: 1-cyclohexyl-4-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]piperazin-4-ium-2-one Openeye Name: 1-cyclohexyl-4-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]piperazin-4-ium-2-one CAS Name: 1-cyclohexyl-4-[1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclohexyl-4-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]piperazin-4-ium-2-one Traditional Name: 1-cyclohexyl-4-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]piperazin-4-ium-2-one Formula: C27H41N4O3+ MolecularWeight: 469.63944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC[NH+](CC2=O)C3CCN(CC3)C4=CC=C(C=C4)C(=O)N5CCCC(C5)O

Isomeric SMILES

C1CCC(CC1)N2CC[NH+](CC2=O)C3CCN(CC3)C4=CC=C(C=C4)C(=O)N5CCC[C@@H](C5)O

InChI

InChI=1S/C27H40N4O3/c32-25-7-4-14-30(19-25)27(34)21-8-10-22(11-9-21)28-15-12-23(13-16-28)29-17-18-31(26(33)20-29)24-5-2-1-3-6-24/h8-11,23-25,32H,1-7,12-20H2/p+1/t25-/m0/s1