[3,4-bis(oxidanyl)phenyl]methyl-[3-(cyclopropylmethoxy)propyl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[3-(cyclopropylmethoxy)propyl]azanium Openeye Name: 3-(cyclopropylmethoxy)propyl-[(3,4-dihydroxyphenyl)methyl]ammonium CAS Name: 3-(cyclopropylmethoxy)propyl-[(3,4-dihydroxyphenyl)methyl]ammonium IUPAC Name: 3-(cyclopropylmethoxy)propyl-[(3,4-dihydroxyphenyl)methyl]azanium Traditional Name: 3-(cyclopropylmethoxy)propyl-protocatechuyl-ammonium Formula: C14H22NO3+ MolecularWeight: 252.32938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COCCC[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1CC1COCCC[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H21NO3/c16-13-5-4-12(8-14(13)17)9-15-6-1-7-18-10-11-2-3-11/h4-5,8,11,15-17H,1-3,6-7,9-10H2/p+1