(5S)-5-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-1-(3-phenylpropyl)piperidin-2-one

Systemtic Name: (5S)-5-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-1-(3-phenylpropyl)piperidin-2-one Openeye Name: (5S)-5-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1-(3-phenylpropyl)piperidin-2-one CAS Name: (5S)-5-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-1-(3-phenylpropyl)-2-piperidinone IUPAC Name: (5S)-5-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1-(3-phenylpropyl)piperidin-2-one Traditional Name: (5S)-5-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1-(3-phenylpropyl)-2-piperidone Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3CCC(=O)N(C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)[C@H]3CCC(=O)N(C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H37N3O2/c29-24-14-13-22(20-28(24)15-7-10-21-8-3-1-4-9-21)25(30)27-18-16-26(17-19-27)23-11-5-2-6-12-23/h1,3-4,8-9,22-23H,2,5-7,10-20H2/p+1/t22-/m0/s1