diethyl-[(1S)-1-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=CC=C2

InChI

InChI=1S/C22H30N2O4/c1-6-24(7-2)18(16-11-9-8-10-12-16)15-23-22(25)17-13-19(26-3)21(28-5)20(14-17)27-4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)/p+1/t18-/m1/s1