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

Systemtic Name: [(1S)-1-(3-hydroxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-dipropyl-azanium Openeye Name: [(1S)-1-(3-hydroxyphenyl)-2-oxo-2-piperazin-1-yl-ethyl]-dipropyl-ammonium CAS Name: [(1S)-1-(3-hydroxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-1-(3-hydroxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-dipropylazanium Traditional Name: [(1S)-1-(3-hydroxyphenyl)-2-keto-2-piperazino-ethyl]-dipropyl-ammonium Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-3-10-20(11-4-2)17(15-6-5-7-16(22)14-15)18(23)21-12-8-19-9-13-21/h5-7,14,17,19,22H,3-4,8-13H2,1-2H3/p+1/t17-/m0/s1