[3,4-bis(oxidanyl)phenyl]methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-(3-isopropoxypropyl)ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl(protocatechuyl)ammonium Formula: C13H22NO3+ MolecularWeight: 240.31868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3/c1-10(2)17-7-3-6-14-9-11-4-5-12(15)13(16)8-11/h4-5,8,10,14-16H,3,6-7,9H2,1-2H3/p+1