[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C22H30N2O4/c1-16(2)24(14-17-9-7-6-8-10-17)15-22(25)23-13-18-11-20(27-4)21(28-5)12-19(18)26-3/h6-12,16H,13-15H2,1-5H3,(H,23,25)/p+1