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

Systemtic Name: 1-[2-[(2,4-dichlorophenyl)methyl]-2-methyl-pent-4-enyl]-1-prop-2-enyl-pyrrolidin-1-ium bromide Openeye Name: 1-allyl-1-[2-[(2,4-dichlorophenyl)methyl]-2-methyl-pent-4-enyl]pyrrolidin-1-ium bromide CAS Name: 1-[2-[(2,4-dichlorophenyl)methyl]-2-methylpent-4-enyl]-1-prop-2-enylpyrrolidin-1-ium bromide IUPAC Name: 1-[2-[(2,4-dichlorophenyl)methyl]-2-methylpent-4-enyl]-1-prop-2-enylpyrrolidin-1-ium bromide Traditional Name: 1-allyl-1-[2-(2,4-dichlorobenzyl)-2-methyl-pent-4-enyl]pyrrolidin-1-ium bromide Formula: C20H28BrCl2N MolecularWeight: 433.25302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28Cl2N.BrH/c1-4-10-20(3,15-17-8-9-18(21)14-19(17)22)16-23(11-5-2)12-6-7-13-23;/h4-5,8-9,14H,1-2,6-7,10-13,15-16H2,3H3;1H/q+1;/p-1