2,4-bis(chloranyl)-6-[[3-(4-methylpiperidin-1-ium-1-yl)propylazaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[3-(4-methylpiperidin-1-ium-1-yl)propylazaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[3-(4-methylpiperidin-1-ium-1-yl)propylammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[3-(4-methyl-1-piperidin-1-iumyl)propylammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[3-(4-methylpiperidin-1-ium-1-yl)propylazaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[3-(4-methylpiperidin-1-ium-1-yl)propylammonio]methyl]phenolate Formula: C16H25Cl2N2O+ MolecularWeight: 332.2885

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

InChI

InChI=1S/C16H24Cl2N2O/c1-12-3-7-20(8-4-12)6-2-5-19-11-13-9-14(17)10-15(18)16(13)21/h9-10,12,19,21H,2-8,11H2,1H3/p+1