[(1S)-1-(3-ethoxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-1-(3-ethoxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(3-ethoxyphenyl)-2-oxo-2-piperazin-1-yl-ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(3-ethoxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-diethylammonium IUPAC Name: [(1S)-1-(3-ethoxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-diethylazanium Traditional Name: diethyl-[(1S)-2-keto-1-m-phenetyl-2-piperazino-ethyl]ammonium Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-4-20(5-2)17(18(22)21-12-10-19-11-13-21)15-8-7-9-16(14-15)23-6-3/h7-9,14,17,19H,4-6,10-13H2,1-3H3/p+1/t17-/m0/s1