1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C14H18N3O5+ MolecularWeight: 308.30982

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C14H17N3O5/c15-14(18)9-1-3-16(4-2-9)7-10-5-12-13(22-8-21-12)6-11(10)17(19)20/h5-6,9H,1-4,7-8H2,(H2,15,18)/p+1