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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(4-ethoxy-3-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=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-3-25-20-10-9-19(15-21(20)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