diethyl-[(1S)-1-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: diethyl-[(1S)-1-(4-hydroxy-3-methoxy-phenyl)-2-oxo-2-piperazin-1-yl-ethyl]ammonium CAS Name: diethyl-[(1S)-1-(4-hydroxy-3-methoxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(4-hydroxy-3-methoxyphenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: diethyl-[(1S)-1-(4-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=CC(=C(C=C1)O)OC)C(=O)N2CCNCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-4-19(5-2)16(17(22)20-10-8-18-9-11-20)13-6-7-14(21)15(12-13)23-3/h6-7,12,16,18,21H,4-5,8-11H2,1-3H3/p+1/t16-/m0/s1