(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[2-keto-2-(3-phenylpropylamino)ethyl]-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NCCCC2=CC=CC=C2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NCCCC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-17-13-20(26-3)21(27-4)14-19(17)15-24(2)16-22(25)23-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15-16H2,1-4H3,(H,23,25)/p+1