[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]-benzyl-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-benzyl-methylazanium Traditional Name: [3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]-benzyl-methyl-ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC2=C(C=C1)OCO2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC2=C(C=C1)OCO2)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3/c1-20(12-14-5-3-2-4-6-14)10-9-18(21)19-15-7-8-16-17(11-15)23-13-22-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)/p+1