(5-chloranyl-2-oxidanyl-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium Formula: C16H17ClNO3+ MolecularWeight: 306.76408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C16H16ClNO3/c17-12-5-6-14(19)11(7-12)8-18-9-13-10-20-15-3-1-2-4-16(15)21-13/h1-7,13,18-19H,8-10H2/p+1/t13-/m0/s1