butyl-methyl-[(2R)-1-oxidanylidene-3-phenoxy-1-piperazin-1-yl-propan-2-yl]azanium

Systemtic Name: butyl-methyl-[(2R)-1-oxidanylidene-3-phenoxy-1-piperazin-1-yl-propan-2-yl]azanium Openeye Name: butyl-methyl-[(1R)-2-oxo-1-(phenoxymethyl)-2-piperazin-1-yl-ethyl]ammonium CAS Name: butyl-methyl-[(2R)-1-oxo-3-phenoxy-1-(1-piperazinyl)propan-2-yl]ammonium IUPAC Name: butyl-methyl-[(2R)-1-oxo-3-phenoxy-1-piperazin-1-ylpropan-2-yl]azanium Traditional Name: butyl-[(1R)-2-keto-1-(phenoxymethyl)-2-piperazino-ethyl]-methyl-ammonium Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(COC1=CC=CC=C1)C(=O)N2CCNCC2

Isomeric SMILES

CCCC[NH+](C)[C@H](COC1=CC=CC=C1)C(=O)N2CCNCC2

InChI

InChI=1S/C18H29N3O2/c1-3-4-12-20(2)17(15-23-16-8-6-5-7-9-16)18(22)21-13-10-19-11-14-21/h5-9,17,19H,3-4,10-15H2,1-2H3/p+1/t17-/m1/s1