N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1,2-dimethylpropyl]-2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1R)-1,2-dimethylpropyl]-2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H37N3O+2 MolecularWeight: 347.53798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)C(C)C

Isomeric SMILES

C[C@H](C(C)C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H35N3O/c1-16(2)18(5)22-21(25)15-24-12-10-23(11-13-24)14-19-6-8-20(9-7-19)17(3)4/h6-9,16-18H,10-15H2,1-5H3,(H,22,25)/p+2/t18-/m1/s1