2-[(1-phenylpiperazin-1-ium-1-yl)methyl]butan-1-ol

Systemtic Name: 2-[(1-phenylpiperazin-1-ium-1-yl)methyl]butan-1-ol Openeye Name: 2-[(1-phenylpiperazin-1-ium-1-yl)methyl]butan-1-ol CAS Name: 2-[(1-phenyl-1-piperazin-1-iumyl)methyl]-1-butanol IUPAC Name: 2-[(1-phenylpiperazin-1-ium-1-yl)methyl]butan-1-ol Traditional Name: 2-[(1-phenylpiperazin-1-ium-1-yl)methyl]butan-1-ol Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+]1(CCNCC1)C2=CC=CC=C2)CO

Isomeric SMILES

CCC(C[N+]1(CCNCC1)C2=CC=CC=C2)CO

InChI

InChI=1S/C15H25N2O/c1-2-14(13-18)12-17(10-8-16-9-11-17)15-6-4-3-5-7-15/h3-7,14,16,18H,2,8-13H2,1H3/q+1