1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-m-anisyl-piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H28N2O/c1-3-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)17-20-5-4-6-21(15-20)24-2/h4-10,15H,3,11-14,16-17H2,1-2H3/p+2