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

Systemtic Name: 4-chloranyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-benzamide chloride Openeye Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-benzamide chloride CAS Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethylbenzamide chloride IUPAC Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethylbenzamide chloride Traditional Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-benzamide chloride Formula: C23H26Cl2N2O MolecularWeight: 417.37134

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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)Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O.ClH/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18;/h2-10,15,20-21H,11-14,16H2,1H3;1H