N-(4-tert-butylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O2/c1-24(2,3)20-9-11-21(12-10-20)25-23(28)19-27-15-13-26(14-16-27)17-18-29-22-7-5-4-6-8-22/h4-12H,13-19H2,1-3H3,(H,25,28)/p+2