1-[2-[(2,4-dichlorophenyl)methyl]-3-methyl-butyl]-1-prop-2-enyl-pyrrolidin-1-ium bromide

Systemtic Name: 1-[2-[(2,4-dichlorophenyl)methyl]-3-methyl-butyl]-1-prop-2-enyl-pyrrolidin-1-ium bromide Openeye Name: 1-allyl-1-[2-[(2,4-dichlorophenyl)methyl]-3-methyl-butyl]pyrrolidin-1-ium bromide CAS Name: 1-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-1-prop-2-enylpyrrolidin-1-ium bromide IUPAC Name: 1-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-1-prop-2-enylpyrrolidin-1-ium bromide Traditional Name: 1-allyl-1-[2-(2,4-dichlorobenzyl)-3-methyl-butyl]pyrrolidin-1-ium bromide Formula: C19H28BrCl2N MolecularWeight: 421.24232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=C(C=C(C=C1)Cl)Cl)C[N+]2(CCCC2)CC=C.[Br-]

Isomeric SMILES

CC(C)C(CC1=C(C=C(C=C1)Cl)Cl)C[N+]2(CCCC2)CC=C.[Br-]

InChI

InChI=1S/C19H28Cl2N.BrH/c1-4-9-22(10-5-6-11-22)14-17(15(2)3)12-16-7-8-18(20)13-19(16)21;/h4,7-8,13,15,17H,1,5-6,9-12,14H2,2-3H3;1H/q+1;/p-1