(2S)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methoxymethyl]pyrrolidin-1-ium

Systemtic Name: (2S)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methoxymethyl]pyrrolidin-1-ium Openeye Name: (2S)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxymethyl]pyrrolidin-1-ium CAS Name: (2S)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxymethyl]pyrrolidin-1-ium IUPAC Name: (2S)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxymethyl]pyrrolidin-1-ium Traditional Name: (2S)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxymethyl]pyrrolidin-1-ium Formula: C14H19ClNO3+ MolecularWeight: 284.75856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)COCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C1C[C@H]([NH2+]C1)COCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C14H18ClNO3/c15-12-4-10(6-17-8-13-2-1-3-16-13)14-11(5-12)7-18-9-19-14/h4-5,13,16H,1-3,6-9H2/p+1/t13-/m0/s1