(2S)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: (2S)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[(2S)-2-methylindolin-1-yl]propan-1-one CAS Name: (2S)-2-(4-cyclohexyl-1-piperazine-1,4-diiumyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: (2S)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: (2S)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[(2S)-2-methylindolin-1-yl]propan-1-one Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)[NH+]3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)[NH+]3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H33N3O/c1-17-16-19-8-6-7-11-21(19)25(17)22(26)18(2)23-12-14-24(15-13-23)20-9-4-3-5-10-20/h6-8,11,17-18,20H,3-5,9-10,12-16H2,1-2H3/p+2/t17-,18-/m0/s1