diethyl-[(1S)-1-(3-methoxy-2-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(3-methoxy-2-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: diethyl-[(1S)-1-(2-hydroxy-3-methoxy-phenyl)-2-oxo-2-piperazin-1-yl-ethyl]ammonium CAS Name: diethyl-[(1S)-1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: diethyl-[(1S)-1-(2-hydroxy-3-methoxy-phenyl)-2-keto-2-piperazino-ethyl]ammonium Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-4-19(5-2)15(17(22)20-11-9-18-10-12-20)13-7-6-8-14(23-3)16(13)21/h6-8,15,18,21H,4-5,9-12H2,1-3H3/p+1/t15-/m0/s1