N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-4-phenyl-benzamide chloride

Systemtic Name: N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-4-phenyl-benzamide chloride Openeye Name: N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-4-phenyl-benzamide chloride CAS Name: N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-4-phenylbenzamide chloride IUPAC Name: N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-4-phenylbenzamide chloride Traditional Name: N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-4-phenyl-benzamide chloride Formula: C29H31ClN2O MolecularWeight: 459.02224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1C=C(C2)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C[NH+]1C2CCC1C=C(C2)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C29H30N2O.ClH/c1-30-26-16-17-27(30)21-28(20-26)31(19-18-22-8-4-2-5-9-22)29(32)25-14-12-24(13-15-25)23-10-6-3-7-11-23;/h2-15,20,26-27H,16-19,21H2,1H3;1H