2-(azocan-1-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C17H23N4O5+ MolecularWeight: 363.38832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N/N=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H22N4O5/c22-17(11-20-6-4-2-1-3-5-7-20)19-18-10-13-8-15-16(26-12-25-15)9-14(13)21(23)24/h8-10H,1-7,11-12H2,(H,19,22)/p+1/b18-10-