1-[4-(4-chloranylphenoxy)butyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[4-(4-chloranylphenoxy)butyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[4-(4-chlorophenoxy)butyl]piperazin-4-ium CAS Name: 1-[4-(4-chlorophenoxy)butyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[4-(4-chlorophenoxy)butyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[4-(4-chlorophenoxy)butyl]piperazin-4-ium Formula: C21H28ClN2O+ MolecularWeight: 359.91282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCOC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCCOC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H27ClN2O/c22-20-8-10-21(11-9-20)25-17-5-4-12-23-13-15-24(16-14-23)18-19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-18H2/p+1