(3S)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C14H18N3O5+ MolecularWeight: 308.30982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)N

InChI

InChI=1S/C14H17N3O5/c15-14(18)9-2-1-3-16(6-9)7-10-4-12-13(22-8-21-12)5-11(10)17(19)20/h4-5,9H,1-3,6-8H2,(H2,15,18)/p+1/t9-/m0/s1