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

Systemtic Name: 1-cycloheptyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-cycloheptyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-cycloheptyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-cycloheptyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-cycloheptyl-4-(3-ethoxy-4-methoxy-benzyl)piperazine-1,4-diium Formula: C21H36N2O2+2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C3CCCCCC3)OC

InChI

InChI=1S/C21H34N2O2/c1-3-25-21-16-18(10-11-20(21)24-2)17-22-12-14-23(15-13-22)19-8-6-4-5-7-9-19/h10-11,16,19H,3-9,12-15,17H2,1-2H3/p+2