[(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(2-chlorophenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(2-chlorophenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(2-chlorophenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-1-(2-chlorophenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(2-chlorophenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(2-chlorophenyl)ethyl]-diethyl-ammonium Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O3/c1-3-24(4-2)17(15-7-5-6-8-16(15)21)12-22-20(25)23-14-9-10-18-19(11-14)27-13-26-18/h5-11,17H,3-4,12-13H2,1-2H3,(H2,22,23,25)/p+1/t17-/m1/s1