(3-nitrophenyl)methyl N-piperidin-4-yl-N-prop-2-ynyl-carbamate hydrochloride

Systemtic Name: (3-nitrophenyl)methyl N-piperidin-4-yl-N-prop-2-ynyl-carbamate hydrochloride Openeye Name: (3-nitrophenyl)methyl N-(4-piperidyl)-N-prop-2-ynyl-carbamate hydrochloride CAS Name: N-(4-piperidinyl)-N-prop-2-ynylcarbamic acid (3-nitrophenyl)methyl ester hydrochloride IUPAC Name: (3-nitrophenyl)methyl N-piperidin-4-yl-N-prop-2-ynylcarbamate hydrochloride Traditional Name: N-(4-piperidyl)-N-propargyl-carbamic acid (3-nitrobenzyl) ester hydrochloride Formula: C16H20ClN3O4 MolecularWeight: 353.8007

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C1CCNCC1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C#CCN(C1CCNCC1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H19N3O4.ClH/c1-2-10-18(14-6-8-17-9-7-14)16(20)23-12-13-4-3-5-15(11-13)19(21)22;/h1,3-5,11,14,17H,6-10,12H2;1H