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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(3-ethoxy-4-methoxy-benzyl)piperazine-1,4-diium Formula: C21H30N2O2+2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O2/c1-3-25-21-15-19(9-10-20(21)24-2)17-23-13-11-22(12-14-23)16-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3/p+2