N-(2-ethylphenyl)-2-[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(1R)-1-phenylethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)C(C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-3-19-9-7-8-12-21(19)23-22(26)17-24-13-15-25(16-14-24)18(2)20-10-5-4-6-11-20/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/p+2/t18-/m1/s1