1-[2-(3-ethylphenoxy)ethyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2-(3-ethylphenoxy)ethyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[2-(3-ethylphenoxy)ethyl]piperazin-1-ium CAS Name: 1-[2-(3-ethylphenoxy)ethyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[2-(3-ethylphenoxy)ethyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[2-(3-ethylphenoxy)ethyl]piperazin-1-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)OCCN2CC[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+1