1-phenyl-4-(piperidin-1-ylmethyl)non-1-en-3-one hydrobromide

Systemtic Name: 1-phenyl-4-(piperidin-1-ylmethyl)non-1-en-3-one hydrobromide Openeye Name: 1-phenyl-4-(1-piperidylmethyl)non-1-en-3-one hydrobromide CAS Name: 1-phenyl-4-(1-piperidinylmethyl)-1-nonen-3-one hydrobromide IUPAC Name: 1-phenyl-4-(piperidin-1-ylmethyl)non-1-en-3-one hydrobromide Traditional Name: 1-phenyl-4-(piperidinomethyl)non-1-en-3-one hydrobromide Formula: C21H32BrNO MolecularWeight: 394.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN1CCCCC1)C(=O)C=CC2=CC=CC=C2.Br

Isomeric SMILES

CCCCCC(CN1CCCCC1)C(=O)C=CC2=CC=CC=C2.Br

InChI

InChI=1S/C21H31NO.BrH/c1-2-3-6-13-20(18-22-16-9-5-10-17-22)21(23)15-14-19-11-7-4-8-12-19;/h4,7-8,11-12,14-15,20H,2-3,5-6,9-10,13,16-18H2,1H3;1H