trimethyl-[(3S)-1-oxidanylidene-6-(phenylmethoxycarbonylamino)-1-piperazin-1-yl-hexan-3-yl]azanium iodide

Systemtic Name: trimethyl-[(3S)-1-oxidanylidene-6-(phenylmethoxycarbonylamino)-1-piperazin-1-yl-hexan-3-yl]azanium iodide Openeye Name: [(1S)-4-(benzyloxycarbonylamino)-1-(2-oxo-2-piperazin-1-yl-ethyl)butyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[(3S)-1-oxo-6-(phenylmethoxycarbonylamino)-1-(1-piperazinyl)hexan-3-yl]ammonium iodide IUPAC Name: trimethyl-[(3S)-1-oxo-6-(phenylmethoxycarbonylamino)-1-piperazin-1-ylhexan-3-yl]azanium iodide Traditional Name: [(1S)-4-(benzyloxycarbonylamino)-1-(2-keto-2-piperazino-ethyl)butyl]-trimethyl-ammonium iodide Formula: C21H35IN4O3 MolecularWeight: 518.43207

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CCCNC(=O)OCC1=CC=CC=C1)CC(=O)N2CCNCC2.[I-]

Isomeric SMILES

C[N+](C)(C)[C@@H](CCCNC(=O)OCC1=CC=CC=C1)CC(=O)N2CCNCC2.[I-]

InChI

InChI=1S/C21H34N4O3.HI/c1-25(2,3)19(16-20(26)24-14-12-22-13-15-24)10-7-11-23-21(27)28-17-18-8-5-4-6-9-18;/h4-6,8-9,19,22H,7,10-17H2,1-3H3;1H/t19-;/m0./s1