(3S)-1-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC(=C2)N)COCO3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC(=C2)N)COCO3)C(=O)N

InChI

InChI=1S/C15H21N3O3/c16-13-4-11(14-12(5-13)8-20-9-21-14)7-18-3-1-2-10(6-18)15(17)19/h4-5,10H,1-3,6-9,16H2,(H2,17,19)/p+1/t10-/m0/s1