butyl-[(1S)-1-(3-hydroxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium

Systemtic Name: butyl-[(1S)-1-(3-hydroxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium Openeye Name: butyl-[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-piperazin-1-yl-ethyl]-methyl-ammonium CAS Name: butyl-[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-methylammonium IUPAC Name: butyl-[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-methylazanium Traditional Name: butyl-[(1S)-1-(3-hydroxyphenyl)-2-keto-2-piperazino-ethyl]-methyl-ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C1=CC(=CC=C1)O)C(=O)N2CCNCC2

Isomeric SMILES

CCCC[NH+](C)[C@@H](C1=CC(=CC=C1)O)C(=O)N2CCNCC2

InChI

InChI=1S/C17H27N3O2/c1-3-4-10-19(2)16(14-6-5-7-15(21)13-14)17(22)20-11-8-18-9-12-20/h5-7,13,16,18,21H,3-4,8-12H2,1-2H3/p+1/t16-/m0/s1