2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: homoveratryl-[2-keto-2-(4-phenylpiperazino)ethyl]-methyl-ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-24(12-11-19-9-10-21(28-2)22(17-19)29-3)18-23(27)26-15-13-25(14-16-26)20-7-5-4-6-8-20/h4-10,17H,11-16,18H2,1-3H3/p+1