[3,4-bis(oxidanyl)phenyl]methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-protocatechuyl-ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-13-5-9-18(10-6-13)8-2-7-17-12-14-3-4-15(19)16(20)11-14/h3-4,11,13,17,19-20H,2,5-10,12H2,1H3/p+2