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

Systemtic Name: N-(4-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H29N3O3+2 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-26-19-9-7-18(8-10-19)22-21(25)17-24-13-11-23(12-14-24)15-16-27-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,22,25)/p+2