1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-isopropyl-piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-isopropyl-piperazine-1,4-diium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C(C)C)OC

InChI

InChI=1S/C17H28N2O2/c1-5-21-17-12-15(6-7-16(17)20-4)13-18-8-10-19(11-9-18)14(2)3/h6-7,12,14H,5,8-11,13H2,1-4H3/p+2