2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]azanium Openeye Name: [3-(benzylamino)-3-oxo-propyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-oxo-3-[(phenylmethyl)amino]propyl]ammonium IUPAC Name: [3-(benzylamino)-3-oxopropyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [3-(benzylamino)-3-keto-propyl]-homoveratryl-methyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3/c1-23(13-11-17-9-10-19(25-2)20(15-17)26-3)14-12-21(24)22-16-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3,(H,22,24)/p+1