N-(3,4-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H31N3O4+2 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29N3O4/c1-27-20-9-8-18(16-21(20)28-2)23-22(26)17-25-12-10-24(11-13-25)14-15-29-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+2