2-[2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[1-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide Formula: C21H36N4O2+2 MolecularWeight: 376.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H34N4O2/c1-4-9-22-20(26)14-23-21(27)16-25-12-10-24(11-13-25)15-18-5-7-19(8-6-18)17(2)3/h5-8,17H,4,9-16H2,1-3H3,(H,22,26)(H,23,27)/p+2