2,4-dimethyl-1-(phenylmethyl)-N,N-di(propan-2-yl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 2,4-dimethyl-1-(phenylmethyl)-N,N-di(propan-2-yl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-benzyl-N,N-diisopropyl-2,4-dimethyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 2,4-dimethyl-1-(phenylmethyl)-N,N-di(propan-2-yl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-benzyl-2,4-dimethyl-N,N-di(propan-2-yl)pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-benzyl-N,N-diisopropyl-2,4-dimethyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H29BrN2O MolecularWeight: 405.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1)CC2=CC=CC=C2)C)C(=O)N(C(C)C)C(C)C.[Br-]

Isomeric SMILES

CC1=C(C(=[N+](C=C1)CC2=CC=CC=C2)C)C(=O)N(C(C)C)C(C)C.[Br-]

InChI

InChI=1S/C21H29N2O.BrH/c1-15(2)23(16(3)4)21(24)20-17(5)12-13-22(18(20)6)14-19-10-8-7-9-11-19;/h7-13,15-16H,14H2,1-6H3;1H/q+1;/p-1