N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxy-ethanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxyacetamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-phenoxy-acetamide Formula: C23H34N4O2+2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)COC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)COC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H32N4O2/c1-25(2)20-11-9-19(10-12-20)22(27-15-13-26(3)14-16-27)17-24-23(28)18-29-21-7-5-4-6-8-21/h4-12,22H,13-18H2,1-3H3,(H,24,28)/p+2/t22-/m1/s1