4-[3-(4-acetamidopyridin-1-ium-1-yl)prop-1-en-2-ylperoxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate

Systemtic Name: 4-[3-(4-acetamidopyridin-1-ium-1-yl)prop-1-en-2-ylperoxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate Openeye Name: 4-[1-[(4-acetamidopyridin-1-ium-1-yl)methyl]vinylperoxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate CAS Name: 3-(4-methyl-1-pyridin-1-iumyl)propanoic acid 4-[3-(4-acetamido-1-pyridin-1-iumyl)prop-1-en-2-yldioxy]butyl ester IUPAC Name: 4-[3-(4-acetamidopyridin-1-ium-1-yl)prop-1-en-2-ylperoxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate Traditional Name: 3-(4-methylpyridin-1-ium-1-yl)propionic acid 4-[1-[(4-acetamidopyridin-1-ium-1-yl)methyl]vinylperoxy]butyl ester Formula: C23H31N3O5+2 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCC(=O)OCCCCOOC(=C)C[N+]2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CCC(=O)OCCCCOOC(=C)C[N+]2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C23H30N3O5/c1-19-6-11-25(12-7-19)15-10-23(28)29-16-4-5-17-30-31-20(2)18-26-13-8-22(9-14-26)24-21(3)27/h6-9,11-14H,2,4-5,10,15-18H2,1,3H3/q+1/p+1