[(4S)-4-[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(3,4-dihydroxyphenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(3,4-dihydroxyphenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(3,4-dihydroxyphenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: diethyl-[(4S)-4-(protocatechuylammonio)pentyl]ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C16H28N2O2/c1-4-18(5-2)10-6-7-13(3)17-12-14-8-9-15(19)16(20)11-14/h8-9,11,13,17,19-20H,4-7,10,12H2,1-3H3/p+2/t13-/m0/s1