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

Systemtic Name: 1-[3-(3-ethylphenoxy)propyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[3-(3-ethylphenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(3-ethylphenoxy)propyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[3-(3-ethylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[3-(3-ethylphenoxy)propyl]piperazin-4-ium Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-2-20-10-6-11-22(18-20)25-17-7-12-23-13-15-24(16-14-23)19-21-8-4-3-5-9-21/h3-6,8-11,18H,2,7,12-17,19H2,1H3/p+1