1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(1-ethylpropyl)piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(1-ethylpropyl)piperazine-1,4-diium Formula: C19H34N2O2+2 MolecularWeight: 322.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O2/c1-5-17(6-2)21-12-10-20(11-13-21)15-16-8-9-18(22-4)19(14-16)23-7-3/h8-9,14,17H,5-7,10-13,15H2,1-4H3/p+2