N-(4-ethyl-3-nitro-phenyl)-1-prop-2-ynyl-piperidin-4-amine

Systemtic Name: N-(4-ethyl-3-nitro-phenyl)-1-prop-2-ynyl-piperidin-4-amine Openeye Name: N-(4-ethyl-3-nitro-phenyl)-1-prop-2-ynyl-piperidin-4-amine CAS Name: N-(4-ethyl-3-nitrophenyl)-1-prop-2-ynyl-4-piperidinamine IUPAC Name: N-(4-ethyl-3-nitrophenyl)-1-prop-2-ynylpiperidin-4-amine Traditional Name: (4-ethyl-3-nitro-phenyl)-(1-propargyl-4-piperidyl)amine Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2CCN(CC2)CC#C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2CCN(CC2)CC#C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O2/c1-3-9-18-10-7-14(8-11-18)17-15-6-5-13(4-2)16(12-15)19(20)21/h1,5-6,12,14,17H,4,7-11H2,2H3