[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-benzyl-ethylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-benzyl-ethyl-ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3/c1-2-20(11-14-6-4-3-5-7-14)12-18(21)19-15-8-9-16-17(10-15)23-13-22-16/h3-10H,2,11-13H2,1H3,(H,19,21)/p+1