[4-[[N'-[6-(4-chloranylphenoxy)hexyl]-N-cyano-carbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanoate

Systemtic Name: [4-[[N'-[6-(4-chloranylphenoxy)hexyl]-N-cyano-carbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanoate Openeye Name: [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyano-carbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate CAS Name: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid [4-[[6-(4-chlorophenoxy)hexylimino-(cyanoamino)methyl]amino]-1-pyridin-1-iumyl]methyl ester IUPAC Name: [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate Traditional Name: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyano-amidino]amino]pyridin-1-ium-1-yl]methyl ester Formula: C29H41ClN5O7+ MolecularWeight: 607.11814

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOCCOCC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N

Isomeric SMILES

COCCOCCOCCOCC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N

InChI

InChI=1S/C29H40ClN5O7/c1-37-16-17-38-18-19-39-20-21-40-22-28(36)42-24-35-13-10-26(11-14-35)34-29(33-23-31)32-12-4-2-3-5-15-41-27-8-6-25(30)7-9-27/h6-11,13-14H,2-5,12,15-22,24H2,1H3,(H,32,33)/p+1