1-[2-(3-ethylphenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[2-(3-ethylphenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-(3-ethylphenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(3-ethylphenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(3-ethylphenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-(3-ethylphenoxy)ethyl]piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-2-19-9-6-10-21(17-19)24-16-15-22-11-13-23(14-12-22)18-20-7-4-3-5-8-20/h3-10,17H,2,11-16,18H2,1H3/p+2