cyclohexyl-methyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-pyridin-3-yl-ethyl]azanium

Systemtic Name: cyclohexyl-methyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-pyridin-3-yl-ethyl]azanium Openeye Name: cyclohexyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(3-pyridyl)ethyl]ammonium CAS Name: cyclohexyl-methyl-[(1S)-2-oxo-2-(1-piperazinyl)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: cyclohexyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-pyridin-3-ylethyl]azanium Traditional Name: cyclohexyl-[(1S)-2-keto-2-piperazino-1-(3-pyridyl)ethyl]-methyl-ammonium Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C(C2=CN=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C[NH+](C1CCCCC1)[C@@H](C2=CN=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C18H28N4O/c1-21(16-7-3-2-4-8-16)17(15-6-5-9-20-14-15)18(23)22-12-10-19-11-13-22/h5-6,9,14,16-17,19H,2-4,7-8,10-13H2,1H3/p+1/t17-/m0/s1