(2R)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: (2R)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: (2R)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: (2R)-2-(4-cyclohexyl-1-piperazine-1,4-diiumyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: (2R)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: (2R)-2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C21H33N3O3+2 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C21H31N3O3/c1-16(23-9-11-24(12-10-23)18-5-3-2-4-6-18)21(25)22-17-7-8-19-20(15-17)27-14-13-26-19/h7-8,15-16,18H,2-6,9-14H2,1H3,(H,22,25)/p+2/t16-/m1/s1