2-[(5R)-5-[2-(benzotriazol-1-yl)ethylcarbamoyl]-2-oxidanylidene-piperidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5R)-5-[2-(benzotriazol-1-yl)ethylcarbamoyl]-2-oxidanylidene-piperidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5R)-5-[2-(benzotriazol-1-yl)ethylcarbamoyl]-2-oxo-1-piperidyl]ethyl-dimethyl-ammonium CAS Name: 2-[(5R)-5-[[2-(1-benzotriazolyl)ethylamino]-oxomethyl]-2-oxo-1-piperidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(5R)-5-[2-(benzotriazol-1-yl)ethylcarbamoyl]-2-oxopiperidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-5-[2-(benzotriazol-1-yl)ethylcarbamoyl]-2-keto-piperidino]ethyl-dimethyl-ammonium Formula: C18H27N6O2+ MolecularWeight: 359.44598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CC(CCC1=O)C(=O)NCCN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[NH+](C)CCN1C[C@@H](CCC1=O)C(=O)NCCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H26N6O2/c1-22(2)11-12-23-13-14(7-8-17(23)25)18(26)19-9-10-24-16-6-4-3-5-15(16)20-21-24/h3-6,14H,7-13H2,1-2H3,(H,19,26)/p+1/t14-/m1/s1