N,N-dimethyl-2-methylidene-hexanamide; (phenylmethyl)azanium; chloride

Systemtic Name: N,N-dimethyl-2-methylidene-hexanamide; (phenylmethyl)azanium; chloride Openeye Name: benzylammonium; N,N-dimethyl-2-methylene-hexanamide; chloride CAS Name: N,N-dimethyl-2-methylenehexanamide; (phenylmethyl)ammonium; chloride IUPAC Name: benzylazanium; N,N-dimethyl-2-methylidenehexanamide; chloride Traditional Name: benzylammonium; 2-butyl-N,N-dimethyl-acrylamide; chloride Formula: C16H27ClN2O MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)N(C)C.C1=CC=C(C=C1)C[NH3+].[Cl-]

Isomeric SMILES

CCCCC(=C)C(=O)N(C)C.C1=CC=C(C=C1)C[NH3+].[Cl-]

InChI

InChI=1S/C9H17NO.C7H9N.ClH/c1-5-6-7-8(2)9(11)10(3)4;8-6-7-4-2-1-3-5-7;/h2,5-7H2,1,3-4H3;1-5H,6,8H2;1H