(3-azanyl-3-oxidanylidene-propyl)-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: (3-amino-3-oxo-propyl)-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-benzyl-ammonium CAS Name: (3-amino-3-oxopropyl)-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: (3-amino-3-oxopropyl)-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-benzylazanium Traditional Name: (3-amino-3-keto-propyl)-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-benzyl-ammonium Formula: C20H23N4O5+ MolecularWeight: 399.42042

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)C[NH+](CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)C[NH+](CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O5/c21-18(25)8-9-24(11-14-4-2-1-3-5-14)12-19(26)23-20(27)22-15-6-7-16-17(10-15)29-13-28-16/h1-7,10H,8-9,11-13H2,(H2,21,25)(H2,22,23,26,27)/p+1