3-(azocan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride

Systemtic Name: 3-(azocan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride Openeye Name: 3-(azocan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride CAS Name: 3-(1-azocanyl)-1-(4-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(azocan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(azocan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CCC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H22N2O3.ClH/c19-16(14-6-8-15(9-7-14)18(20)21)10-13-17-11-4-2-1-3-5-12-17;/h6-9H,1-5,10-13H2;1H