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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethylpropyl)piperazine-1,4-diium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-veratryl-piperazine-1,4-diium Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-5-16(6-2)20-11-9-19(10-12-20)14-15-7-8-17(21-3)18(13-15)22-4/h7-8,13,16H,5-6,9-12,14H2,1-4H3/p+2