1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazin-4-ium

Systemtic Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazin-4-ium Openeye Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazin-4-ium CAS Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazin-4-ium IUPAC Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazin-4-ium Traditional Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazin-4-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCCOC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CN1CC[NH+](CC1)CCCCOC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-22-14-16-23(17-15-22)13-7-8-18-24-21-12-6-5-11-20(21)19-9-3-2-4-10-19/h2-6,9-12H,7-8,13-18H2,1H3/p+1