N-phenethyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-phenethyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-benzyl-N-phenethyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N-phenethyl-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-benzyl-N-phenethylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-benzyl-N-phenethyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H21BrN2O MolecularWeight: 397.30824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H20N2O.BrH/c24-21(22-14-13-18-8-3-1-4-9-18)20-12-7-15-23(17-20)16-19-10-5-2-6-11-19;/h1-12,15,17H,13-14,16H2;1H