2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]ethylammonium Formula: C15H24N4O3+2 MolecularWeight: 308.37606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC[NH3+]

InChI

InChI=1S/C15H22N4O3/c16-3-4-18-5-7-19(8-6-18)10-15(20)17-12-1-2-13-14(9-12)22-11-21-13/h1-2,9H,3-8,10-11,16H2,(H,17,20)/p+2