1-(4-methoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(4-methoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone Formula: C19H30N2O2+2 MolecularWeight: 318.4537

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C19H28N2O2/c1-23-18-7-5-16(6-8-18)19(22)15-20-13-9-17(10-14-20)21-11-3-2-4-12-21/h5-8,17H,2-4,9-15H2,1H3/p+2