2-bromanyl-4-cyclopropyl-aniline; [(E)-but-2-enyl]-ethenyl-methyl-pentyl-azanium; bromide

Systemtic Name: 2-bromanyl-4-cyclopropyl-aniline; [(E)-but-2-enyl]-ethenyl-methyl-pentyl-azanium; bromide Openeye Name: 2-bromo-4-cyclopropyl-aniline; [(E)-but-2-enyl]-methyl-pentyl-vinyl-ammonium; bromide CAS Name: 2-bromo-4-cyclopropylaniline; [(E)-but-2-enyl]-ethenyl-methyl-pentylammonium; bromide IUPAC Name: 2-bromo-4-cyclopropylaniline; [(E)-but-2-enyl]-ethenyl-methyl-pentylazanium; bromide Traditional Name: amyl-[(E)-but-2-enyl]-methyl-vinyl-ammonium; (2-bromo-4-cyclopropyl-phenyl)amine; bromide Formula: C21H34Br2N2 MolecularWeight: 474.31606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CC=CC)C=C.C1CC1C2=CC(=C(C=C2)N)Br.[Br-]

Isomeric SMILES

CCCCC[N+](C)(C/C=C/C)C=C.C1CC1C2=CC(=C(C=C2)N)Br.[Br-]

InChI

InChI=1S/C12H24N.C9H10BrN.BrH/c1-5-8-10-12-13(4,7-3)11-9-6-2;10-8-5-7(6-1-2-6)3-4-9(8)11;/h6-7,9H,3,5,8,10-12H2,1-2,4H3;3-6H,1-2,11H2;1H/q+1;;/p-1/b9-6+;;