1-[[4-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[[4-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[4-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[4-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[4-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[4-(3-phenylpropoxy)benzyl]piperazin-4-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O/c1-2-5-18(6-3-1)7-4-16-23-20-10-8-19(9-11-20)17-22-14-12-21-13-15-22/h1-3,5-6,8-11,21H,4,7,12-17H2/p+1