(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(3S)-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: (2-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(3S)-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: (2-chloro-4-hydroxy-5-methoxy-phenyl)methyl-[(3S)-chroman-3-yl]ammonium CAS Name: (2-chloro-4-hydroxy-5-methoxyphenyl)methyl-[(3S)-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: (2-chloro-4-hydroxy-5-methoxyphenyl)methyl-[(3S)-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: (2-chloro-4-hydroxy-5-methoxy-benzyl)-[(3S)-chroman-3-yl]ammonium Formula: C17H19ClNO3+ MolecularWeight: 320.79066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C2CC3=CC=CC=C3OC2)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+][C@H]2CC3=CC=CC=C3OC2)Cl)O

InChI

InChI=1S/C17H18ClNO3/c1-21-17-7-12(14(18)8-15(17)20)9-19-13-6-11-4-2-3-5-16(11)22-10-13/h2-5,7-8,13,19-20H,6,9-10H2,1H3/p+1/t13-/m0/s1