3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-benzamide chloride

Systemtic Name: 3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-benzamide chloride Openeye Name: 3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-benzamide chloride CAS Name: 3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethylbenzamide chloride IUPAC Name: 3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethylbenzamide chloride Traditional Name: 3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)-N-phenethyl-benzamide chloride Formula: C25H31ClN2O MolecularWeight: 410.97944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(CCC2=CC=CC=C2)C3=CC4CCC(C3)[NH+]4C)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(CCC2=CC=CC=C2)C3=CC4CCC(C3)[NH+]4C)C.[Cl-]

InChI

InChI=1S/C25H30N2O.ClH/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3;/h4-8,13-16,22-23H,9-12,17H2,1-3H3;1H