pyridin-4-ylmethyl N-[1-(1-azanyl-3-oxidanyl-piperidin-2-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate dihydrochloride

Systemtic Name: pyridin-4-ylmethyl N-[1-(1-azanyl-3-oxidanyl-piperidin-2-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate dihydrochloride Openeye Name: 4-pyridylmethyl N-[1-(1-amino-3-hydroxy-piperidine-2-carbonyl)-3-methyl-butyl]carbamate dihydrochloride CAS Name: N-[1-(1-amino-3-hydroxy-2-piperidinyl)-4-methyl-1-oxopentan-2-yl]carbamic acid pyridin-4-ylmethyl ester dihydrochloride IUPAC Name: pyridin-4-ylmethyl N-[1-(1-amino-3-hydroxypiperidin-2-yl)-4-methyl-1-oxopentan-2-yl]carbamate dihydrochloride Traditional Name: N-[1-(1-amino-3-hydroxy-pipecoloyl)-3-methyl-butyl]carbamic acid 4-pyridylmethyl ester dihydrochloride Formula: C18H30Cl2N4O4 MolecularWeight: 437.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1C(CCCN1N)O)NC(=O)OCC2=CC=NC=C2.Cl.Cl

Isomeric SMILES

CC(C)CC(C(=O)C1C(CCCN1N)O)NC(=O)OCC2=CC=NC=C2.Cl.Cl

InChI

InChI=1S/C18H28N4O4.2ClH/c1-12(2)10-14(17(24)16-15(23)4-3-9-22(16)19)21-18(25)26-11-13-5-7-20-8-6-13;;/h5-8,12,14-16,23H,3-4,9-11,19H2,1-2H3,(H,21,25);2*1H