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

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-phenyl-ethyl]-diethyl-ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-3-23(4-2)17(15-8-6-5-7-9-15)13-21-20(24)22-16-10-11-18-19(12-16)26-14-25-18/h5-12,17H,3-4,13-14H2,1-2H3,(H2,21,22,24)/p+1/t17-/m1/s1