1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-isopropyl-piperazine-1,4-diium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-isopropyl-4-veratryl-piperazine-1,4-diium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H26N2O2/c1-13(2)18-9-7-17(8-10-18)12-14-5-6-15(19-3)16(11-14)20-4/h5-6,11,13H,7-10,12H2,1-4H3/p+2