2-[(5R)-5-[3-(benzotriazol-1-yl)propylcarbamoyl]-2-oxidanylidene-piperidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5R)-5-[3-(benzotriazol-1-yl)propylcarbamoyl]-2-oxidanylidene-piperidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5R)-5-[3-(benzotriazol-1-yl)propylcarbamoyl]-2-oxo-1-piperidyl]ethyl-dimethyl-ammonium CAS Name: 2-[(5R)-5-[[3-(1-benzotriazolyl)propylamino]-oxomethyl]-2-oxo-1-piperidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(5R)-5-[3-(benzotriazol-1-yl)propylcarbamoyl]-2-oxopiperidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-5-[3-(benzotriazol-1-yl)propylcarbamoyl]-2-keto-piperidino]ethyl-dimethyl-ammonium Formula: C19H29N6O2+ MolecularWeight: 373.47256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CC(CCC1=O)C(=O)NCCCN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[NH+](C)CCN1C[C@@H](CCC1=O)C(=O)NCCCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H28N6O2/c1-23(2)12-13-24-14-15(8-9-18(24)26)19(27)20-10-5-11-25-17-7-4-3-6-16(17)21-22-25/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,27)/p+1/t15-/m1/s1