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

Systemtic Name: 4-chloranyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenyl-benzamide chloride Openeye Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenyl-benzamide chloride CAS Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenylbenzamide chloride IUPAC Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenylbenzamide chloride Traditional Name: 4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenyl-benzamide chloride Formula: C21H22Cl2N2O MolecularWeight: 389.31818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O.ClH/c1-23-18-11-12-19(23)14-20(13-18)24(17-5-3-2-4-6-17)21(25)15-7-9-16(22)10-8-15;/h2-10,13,18-19H,11-12,14H2,1H3;1H